 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer08_STD_M11_def2SVPD.in
 Output=12_L-valine_conformer08_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-103921.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    103922.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer08_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:41:50 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer08_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.412250000000     -0.293817000000     -0.659732000000
  C                                                 1.052491000000     -0.579308000000     -0.023478000000
  C                                                -0.027034000000      0.388733000000     -0.598813000000
  C                                                -1.390463000000     -0.046113000000     -0.106970000000
  O                                                -1.821402000000     -1.161736000000     -0.736457000000
  C                                                 1.133559000000     -0.529563000000      1.500987000000
  N                                                 0.135122000000      1.799703000000     -0.297606000000
  O                                                -2.020824000000      0.489404000000      0.767388000000
  H                                                -0.021936000000      0.253255000000     -1.684416000000
  H                                                 0.747954000000     -1.585935000000     -0.324216000000
  H                                                -2.672285000000     -1.401673000000     -0.337129000000
  H                                                -0.239600000000      2.012406000000      0.618715000000
  H                                                 1.104748000000      2.081912000000     -0.335804000000
  H                                                 1.429701000000      0.463432000000      1.845535000000
  H                                                 0.179505000000     -0.772294000000      1.970784000000
  H                                                 1.877624000000     -1.240196000000      1.864259000000
  H                                                 2.361305000000     -0.338696000000     -1.749450000000
  H                                                 2.788843000000      0.693074000000     -0.378253000000
  H                                                 3.151277000000     -1.024146000000     -0.326187000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:41:50 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528159   0.000000
     3  C    2.533711   1.559964   0.000000
     4  C    3.850653   2.501858   1.513255   0.000000
     5  O    4.322381   3.017751   2.375428   1.351509   0.000000
     6  C    2.521772   1.527429   2.568930   3.031491   3.759999
     7  N    3.114366   2.564450   1.451846   2.402247   3.576408
     8  O    4.722526   3.348564   2.419057   1.203593   2.242227
     9  H    2.697133   2.146222   1.094036   2.109697   2.477681
    10  H    2.133547   1.093839   2.139001   2.644064   2.636566
    11  H    5.213819   3.827351   3.204900   1.879783   0.970069
    12  H    3.739706   2.966293   2.040557   2.467510   3.796547
    13  H    2.731040   2.679994   2.053524   3.287390   4.386813
    14  H    2.795566   2.173201   2.846488   3.467742   4.458422
    15  H    3.483347   2.185504   2.827273   2.703553   3.388871
    16  H    2.748088   2.163601   3.513952   3.998996   4.522463
    17  H    1.091831   2.179419   2.749051   4.105984   4.381619
    18  H    1.093164   2.181683   2.840851   4.252833   4.982267
    19  H    1.091235   2.166660   3.488870   4.651022   4.991472
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.107619   0.000000
     8  O    3.395084   2.738467   0.000000
     9  H    3.477753   2.083125   3.172170   0.000000
    10  H    2.143823   3.440758   3.628328   2.413606   0.000000
    11  H    4.315518   4.258157   2.284848   3.402693   3.425223
    12  H    3.020857   1.012573   2.348275   2.906269   3.848693
    13  H    3.192872   1.010582   3.677270   2.536170   3.685178
    14  H    1.091995   2.838064   3.615135   3.822562   3.061454
    15  H    1.090801   3.429684   2.807399   3.801686   2.500434
    16  H    1.091146   4.117154   4.403696   4.293229   2.486989
    17  H    3.479818   3.411230   5.120867   2.456516   2.487931
    18  H    2.786817   2.876346   4.948421   3.130492   3.059743
    19  H    2.766652   4.131844   5.498852   3.680465   2.468111
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.299713   0.000000
    13  H    5.138224   1.650215   0.000000
    14  H    5.006888   2.586692   2.735564   0.000000
    15  H    3.722269   3.123827   3.784563   1.762299   0.000000
    16  H    5.057060   4.075958   4.058820   1.761628   1.764621
    17  H    5.334941   4.230909   3.071917   3.799370   4.334559
    18  H    5.849237   3.450514   2.183311   2.616340   3.804461
    19  H    5.835796   4.648821   3.719673   3.145328   3.764430
                   16         17         18         19
    16  H    0.000000
    17  H    3.755735   0.000000
    18  H    3.097856   1.768479   0.000000
    19  H    2.543015   1.766232   1.755823   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.83D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9403174           1.4385027           1.3450378
 Leave Link  202 at Thu Aug 12 21:41:50 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.6814012426 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:41:51 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  4.66D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:41:51 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:41:52 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer08_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:41:52 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.868331683332    
 DIIS: error= 3.74D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.868331683332     IErMin= 1 ErrMin= 3.74D-03
 ErrMax= 3.74D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-02 BMatP= 1.76D-02
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.74D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.438 Goal=   None    Shift=    0.000
 GapD=    0.438 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.94D-03 MaxDP=3.53D-01              OVMax= 2.08D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.88D-03    CP:  1.05D+00
 E= -401.885901301075     Delta-E=       -0.017569617743 Rises=F Damp=F
 DIIS: error= 1.43D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.885901301075     IErMin= 2 ErrMin= 1.43D-03
 ErrMax= 1.43D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.46D-04 BMatP= 1.76D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.43D-02
 Coeff-Com: -0.353D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.348D-02 0.100D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.10D-03 MaxDP=3.54D-02 DE=-1.76D-02 OVMax= 1.02D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.31D-04    CP:  1.05D+00  1.12D+00
 E= -401.886623900699     Delta-E=       -0.000722599624 Rises=F Damp=F
 DIIS: error= 1.07D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.886623900699     IErMin= 3 ErrMin= 1.07D-03
 ErrMax= 1.07D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.22D-04 BMatP= 9.46D-04
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.07D-02
 Coeff-Com: -0.634D-01 0.483D+00 0.580D+00
 Coeff-En:   0.000D+00 0.732D-02 0.993D+00
 Coeff:     -0.628D-01 0.478D+00 0.584D+00
 Gap=     0.389 Goal=   None    Shift=    0.000
 RMSDP=2.40D-04 MaxDP=1.32D-02 DE=-7.23D-04 OVMax= 3.35D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.59D-04    CP:  1.05D+00  1.15D+00  9.81D-01
 E= -401.887106080582     Delta-E=       -0.000482179883 Rises=F Damp=F
 DIIS: error= 1.75D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.887106080582     IErMin= 4 ErrMin= 1.75D-04
 ErrMax= 1.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-05 BMatP= 7.22D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.75D-03
 Coeff-Com: -0.161D-01 0.524D-01 0.143D+00 0.821D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.161D-01 0.523D-01 0.142D+00 0.821D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=7.29D-05 MaxDP=2.72D-03 DE=-4.82D-04 OVMax= 1.32D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.25D-05    CP:  1.05D+00  1.16D+00  1.03D+00  1.15D+00
 E= -401.887125887695     Delta-E=       -0.000019807113 Rises=F Damp=F
 DIIS: error= 1.31D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.887125887695     IErMin= 5 ErrMin= 1.31D-04
 ErrMax= 1.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.25D-06 BMatP= 2.05D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.31D-03
 Coeff-Com:  0.228D-02-0.464D-01-0.294D-01 0.368D+00 0.705D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.228D-02-0.463D-01-0.294D-01 0.368D+00 0.706D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=3.40D-05 MaxDP=2.39D-03 DE=-1.98D-05 OVMax= 6.83D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.23D-05    CP:  1.05D+00  1.15D+00  1.05D+00  1.19D+00  1.10D+00
 E= -401.887131558390     Delta-E=       -0.000005670695 Rises=F Damp=F
 DIIS: error= 3.34D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.887131558390     IErMin= 6 ErrMin= 3.34D-05
 ErrMax= 3.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.85D-07 BMatP= 6.25D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.282D-02-0.277D-01-0.298D-01 0.911D-01 0.330D+00 0.633D+00
 Coeff:      0.282D-02-0.277D-01-0.298D-01 0.911D-01 0.330D+00 0.633D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=9.15D-06 MaxDP=3.64D-04 DE=-5.67D-06 OVMax= 2.59D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.29D-06    CP:  1.05D+00  1.15D+00  1.06D+00  1.20D+00  1.16D+00
                    CP:  1.14D+00
 E= -401.887132264749     Delta-E=       -0.000000706359 Rises=F Damp=F
 DIIS: error= 5.86D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.887132264749     IErMin= 7 ErrMin= 5.86D-06
 ErrMax= 5.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.81D-08 BMatP= 7.85D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.201D-03 0.108D-02-0.132D-02-0.350D-01-0.351D-01 0.114D+00
 Coeff-Com:  0.956D+00
 Coeff:      0.201D-03 0.108D-02-0.132D-02-0.350D-01-0.351D-01 0.114D+00
 Coeff:      0.956D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=5.98D-06 MaxDP=2.49D-04 DE=-7.06D-07 OVMax= 1.89D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.47D-06    CP:  1.05D+00  1.15D+00  1.06D+00  1.20D+00  1.21D+00
                    CP:  1.27D+00  1.31D+00
 E= -401.887132348158     Delta-E=       -0.000000083410 Rises=F Damp=F
 DIIS: error= 1.99D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.887132348158     IErMin= 8 ErrMin= 1.99D-06
 ErrMax= 1.99D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.30D-09 BMatP= 3.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.211D-03 0.279D-02 0.264D-02-0.163D-01-0.362D-01-0.417D-01
 Coeff-Com:  0.198D+00 0.891D+00
 Coeff:     -0.211D-03 0.279D-02 0.264D-02-0.163D-01-0.362D-01-0.417D-01
 Coeff:      0.198D+00 0.891D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=2.36D-06 MaxDP=1.17D-04 DE=-8.34D-08 OVMax= 6.86D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.05D-06    CP:  1.05D+00  1.15D+00  1.06D+00  1.20D+00  1.23D+00
                    CP:  1.34D+00  1.45D+00  1.20D+00
 E= -401.887132356974     Delta-E=       -0.000000008816 Rises=F Damp=F
 DIIS: error= 1.12D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.887132356974     IErMin= 9 ErrMin= 1.12D-06
 ErrMax= 1.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.42D-10 BMatP= 4.30D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.875D-04 0.812D-03 0.105D-02-0.206D-02-0.799D-02-0.283D-01
 Coeff-Com: -0.416D-01 0.302D+00 0.776D+00
 Coeff:     -0.875D-04 0.812D-03 0.105D-02-0.206D-02-0.799D-02-0.283D-01
 Coeff:     -0.416D-01 0.302D+00 0.776D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=8.16D-07 MaxDP=8.32D-05 DE=-8.82D-09 OVMax= 2.34D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.53D-07    CP:  1.05D+00  1.15D+00  1.06D+00  1.20D+00  1.23D+00
                    CP:  1.34D+00  1.51D+00  1.33D+00  1.09D+00
 E= -401.887132358163     Delta-E=       -0.000000001188 Rises=F Damp=F
 DIIS: error= 3.19D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.887132358163     IErMin=10 ErrMin= 3.19D-07
 ErrMax= 3.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.64D-11 BMatP= 7.42D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.541D-05-0.174D-03-0.989D-04 0.160D-02 0.325D-02-0.372D-03
 Coeff-Com: -0.323D-01-0.594D-01 0.132D+00 0.956D+00
 Coeff:      0.541D-05-0.174D-03-0.989D-04 0.160D-02 0.325D-02-0.372D-03
 Coeff:     -0.323D-01-0.594D-01 0.132D+00 0.956D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=3.29D-07 MaxDP=1.43D-05 DE=-1.19D-09 OVMax= 8.86D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  1.05D+00  1.15D+00  1.06D+00  1.20D+00  1.23D+00
                    CP:  1.35D+00  1.52D+00  1.37D+00  1.25D+00  1.10D+00
 E= -401.887132358293     Delta-E=       -0.000000000130 Rises=F Damp=F
 DIIS: error= 8.60D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.887132358293     IErMin=11 ErrMin= 8.60D-08
 ErrMax= 8.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.16D-12 BMatP= 5.64D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-04-0.126D-03-0.129D-03 0.621D-03 0.169D-02 0.262D-02
 Coeff-Com: -0.377D-02-0.444D-01-0.406D-01 0.245D+00 0.839D+00
 Coeff:      0.104D-04-0.126D-03-0.129D-03 0.621D-03 0.169D-02 0.262D-02
 Coeff:     -0.377D-02-0.444D-01-0.406D-01 0.245D+00 0.839D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=7.91D-08 MaxDP=5.21D-06 DE=-1.30D-10 OVMax= 2.02D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.99D-08    CP:  1.05D+00  1.15D+00  1.06D+00  1.20D+00  1.23D+00
                    CP:  1.35D+00  1.52D+00  1.38D+00  1.29D+00  1.18D+00
                    CP:  1.07D+00
 E= -401.887132358294     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 2.49D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.887132358294     IErMin=12 ErrMin= 2.49D-08
 ErrMax= 2.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.31D-13 BMatP= 6.16D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.146D-05-0.773D-05-0.142D-04-0.376D-04 0.551D-05 0.514D-03
 Coeff-Com:  0.248D-02-0.266D-02-0.213D-01-0.494D-01 0.174D+00 0.896D+00
 Coeff:      0.146D-05-0.773D-05-0.142D-04-0.376D-04 0.551D-05 0.514D-03
 Coeff:      0.248D-02-0.266D-02-0.213D-01-0.494D-01 0.174D+00 0.896D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=2.32D-08 MaxDP=9.55D-07 DE=-1.25D-12 OVMax= 5.54D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.32D-09    CP:  1.05D+00  1.15D+00  1.06D+00  1.20D+00  1.23D+00
                    CP:  1.35D+00  1.52D+00  1.38D+00  1.29D+00  1.19D+00
                    CP:  1.15D+00  1.13D+00
 E= -401.887132358291     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 7.76D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.887132358294     IErMin=13 ErrMin= 7.76D-09
 ErrMax= 7.76D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-14 BMatP= 5.31D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.605D-06 0.905D-05 0.866D-05-0.575D-04-0.143D-03-0.128D-03
 Coeff-Com:  0.681D-03 0.321D-02-0.210D-03-0.286D-01-0.419D-01 0.158D+00
 Coeff-Com:  0.909D+00
 Coeff:     -0.605D-06 0.905D-05 0.866D-05-0.575D-04-0.143D-03-0.128D-03
 Coeff:      0.681D-03 0.321D-02-0.210D-03-0.286D-01-0.419D-01 0.158D+00
 Coeff:      0.909D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=6.37D-09 MaxDP=2.18D-07 DE= 2.84D-12 OVMax= 1.49D-07

 SCF Done:  E(RM11) =  -401.887132358     A.U. after   13 cycles
            NFock= 13  Conv=0.64D-08     -V/T= 2.0115
 KE= 3.973314327204D+02 PE=-1.753308131780D+03 EE= 5.454081654584D+02
 Leave Link  502 at Thu Aug 12 21:43:15 2021, MaxMem=  5368709120 cpu:             663.7 elap:              83.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.32212080D+02

 Leave Link  801 at Thu Aug 12 21:43:15 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 1.52D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.15D-01 4.09D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 1.56D-02 2.05D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.70D-03 6.49D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 8.00D-05 1.77D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 3.31D-06 2.97D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 1.36D-07 4.71D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 3.70D-09 7.68D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 6.73D-11 9.87D-07.
     10 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 1.14D-12 1.21D-07.
      4 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 1.84D-14 1.35D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.862581D+02
      2 -0.256948D+00  0.759205D+02
      3 -0.246347D+01  0.204795D+01  0.741484D+02
 Isotropic polarizability for W=    0.088559       78.78 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.719569D+02 -0.224270D+02  0.239539D+01
      2  -0.392622D+02  0.228474D+02 -0.814359D+01
      3  -0.326946D+02 -0.420465D+00  0.574821D+01
      4  -0.244894D+02  0.466231D+02 -0.185885D+02
      5   0.108768D+02 -0.206615D+02  0.594072D+02
      6  -0.541996D+01  0.267853D+01 -0.780160D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.218095D+01  0.132469D+01 -0.871994D+00
      2   0.533677D+01 -0.673158D+01  0.299569D+02
      3   0.662958D+01 -0.261240D+02  0.762289D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.207300D+01  0.108221D+02  0.738113D+01
      2  -0.848142D+01 -0.131686D+02  0.921018D+02
      3  -0.206244D+01 -0.858853D+02  0.152416D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.725967D-01 -0.137278D+01 -0.774559D+00
      2  -0.137278D+01 -0.571175D+00 -0.181177D+00
      3  -0.774559D+00 -0.181177D+00 -0.645873D+00
 OR G Eigenvalues:    -2.0262    -0.4703     1.2069  Iso=     0.4299
 Eigenvectors:
   (1)   0.626690   0.645609   0.436405
   (2)  -0.076128  -0.506618   0.858803
   (3)   0.775541  -0.571426  -0.268343
 w=    0.088559 a.u., Optical Rotation Beta=      0.4299 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      186.08 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 1.27D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.78D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 3.66D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 4.18D-02 2.74D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.70D-03 6.41D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 2.35D-05 5.84D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 2.68D-07 5.30D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 2.88D-09 5.34D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 2.79D-11 4.97D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 2.29D-13 4.67D-08.
      4 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 1.75D-15 3.94D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   244 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 5.33D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 5.33D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.55D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.862581D+02 -0.256948D+00 -0.246347D+01
      2  -0.256948D+00  0.759205D+02  0.204795D+01
      3  -0.246347D+01  0.204795D+01  0.741484D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.218095D+01  0.132469D+01 -0.871994D+00
      2   0.533677D+01 -0.673158D+01  0.299569D+02
      3   0.662958D+01 -0.261240D+02  0.762289D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.719569D+02 -0.224270D+02  0.239539D+01
      2  -0.392622D+02  0.228474D+02 -0.814359D+01
      3  -0.326946D+02 -0.420465D+00  0.574821D+01
      4  -0.244894D+02  0.466231D+02 -0.185885D+02
      5   0.108768D+02 -0.206615D+02  0.594072D+02
      6  -0.541996D+01  0.267853D+01 -0.780160D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.587625D-01  0.238331D+01 -0.330908D+01  0.376137D+01 -0.451031D+01
      2   0.238331D+01 -0.412458D+01  0.142008D+00 -0.451031D+01 -0.249713D+01
      3  -0.330908D+01  0.142008D+00  0.887159D+00  0.631235D-02 -0.195263D+01
                 6             7             8             9            10 
      1   0.631235D-02 -0.444501D+01  0.481197D+00 -0.552842D-01  0.173938D+01
      2  -0.195263D+01  0.481197D+00 -0.229228D+01  0.344891D+00 -0.276797D+01
      3   0.441141D+00 -0.552842D-01  0.344891D+00  0.694589D+01  0.394670D+01
                11            12            13            14            15 
      1  -0.276797D+01  0.394670D+01 -0.610223D+01  0.445752D+01  0.126639D+00
      2   0.419603D+01  0.205519D+00  0.445752D+01  0.380431D+01  0.288998D+01
      3   0.205519D+00 -0.308895D+00  0.126639D+00  0.288998D+01  0.161357D+00
                16            17            18            19            20 
      1   0.629916D+01 -0.394719D+00 -0.510166D-02 -0.409494D+01  0.436326D+01
      2  -0.394719D+00  0.315938D+01  0.188338D+00  0.436326D+01 -0.196597D+01
      3  -0.510166D-02  0.188338D+00 -0.483887D+01 -0.136528D+01  0.544529D+00
                21            22            23            24            25 
      1  -0.136528D+01  0.682975D+01 -0.172736D+01 -0.597621D-01 -0.331707D+01
      2   0.544529D+00 -0.172736D+01 -0.274123D+00 -0.518069D+00  0.630645D+00
      3  -0.392658D+00 -0.597621D-01 -0.518069D+00  0.182931D+01 -0.809611D+00
                26            27            28            29            30 
      1   0.630645D+00 -0.809611D+00  0.163630D+01 -0.263309D+01 -0.770795D+00
      2  -0.207407D+01  0.207253D+01 -0.263309D+01  0.552536D+00  0.152221D+01
      3   0.207253D+01  0.628488D+01 -0.770795D+00  0.152221D+01  0.696267D+00
                31            32            33            34            35 
      1  -0.300973D+01 -0.127820D+00  0.152594D+01 -0.365229D+01  0.142930D+01
      2  -0.127820D+00 -0.560695D+00  0.299452D+00  0.142930D+01 -0.412306D+00
      3   0.152594D+01  0.299452D+00 -0.128724D+01  0.152210D+01 -0.117473D+01
                36            37            38            39            40 
      1   0.152210D+01  0.427220D+01  0.139641D+01 -0.161313D+01 -0.764178D-01
      2  -0.117473D+01  0.139641D+01  0.153776D+01 -0.690649D+00 -0.211844D-01
      3  -0.309665D+01 -0.161313D+01 -0.690649D+00  0.295691D+00 -0.827165D+00
                41            42            43            44            45 
      1  -0.211844D-01 -0.827165D+00 -0.336498D+01 -0.163423D+01 -0.936511D+00
      2  -0.320238D+01 -0.157319D+01 -0.163423D+01 -0.206116D+01 -0.145114D+01
      3  -0.157319D+01 -0.743441D+00 -0.936511D+00 -0.145114D+01 -0.266020D+01
                46            47            48            49            50 
      1   0.122545D+01  0.312499D+01 -0.432972D+01  0.317890D+01 -0.336304D+01
      2   0.312499D+01 -0.319314D+01  0.152560D+00 -0.336304D+01 -0.240513D+01
      3  -0.432972D+01  0.152560D+00  0.507018D+00  0.145361D+00 -0.328049D+01
                51            52            53            54            55 
      1   0.145361D+00 -0.366990D+01 -0.224533D-01  0.414347D+00 -0.361589D+01
      2  -0.328049D+01 -0.224533D-01 -0.279123D+01 -0.831445D-01 -0.714193D+00
      3   0.404169D+00  0.414347D+00 -0.831445D-01  0.329495D+01  0.120825D+00
                56            57            58            59            60 
      1  -0.714193D+00  0.120825D+00 -0.187330D+01 -0.509102D+00  0.803864D-01
      2  -0.488738D+00 -0.158655D+00 -0.509102D+00  0.476408D+01 -0.130565D+01
      3  -0.158655D+00  0.134539D+01  0.803864D-01 -0.130565D+01 -0.133339D+01
                61            62            63            64            65 
      1  -0.101119D+00 -0.609014D+00  0.893850D+00 -0.646909D+01  0.224769D+01
      2  -0.609014D+00 -0.761236D+00 -0.522918D+00  0.224769D+01 -0.194686D+01
      3   0.893850D+00 -0.522918D+00 -0.339210D+01  0.287423D+01 -0.131590D+01
                66            67            68            69            70 
      1   0.287423D+01  0.368342D+01 -0.204273D+01 -0.100419D+01  0.569584D+01
      2  -0.131590D+01 -0.204273D+01  0.391181D+01  0.189300D+01 -0.866807D+00
      3  -0.205176D+01 -0.100419D+01  0.189300D+01  0.174300D+01 -0.283168D+01
                71            72            73            74            75 
      1  -0.866807D+00 -0.283168D+01  0.543427D+00 -0.813036D+00 -0.115051D+01
      2   0.248154D+01  0.216233D+01 -0.813036D+00  0.427088D+00  0.632320D-02
      3   0.216233D+01  0.618598D+01 -0.115051D+01  0.632320D-02  0.148592D+00
                76            77            78            79            80 
      1  -0.125821D+01  0.203000D+00  0.429589D-01 -0.128573D+01 -0.894724D-01
      2   0.203000D+00 -0.172567D+00 -0.130061D+01 -0.894724D-01 -0.155372D+01
      3   0.429589D-01 -0.130061D+01 -0.687968D+00  0.102965D+00 -0.742185D+00
                81            82            83            84            85 
      1   0.102965D+00 -0.144837D+01 -0.108473D+01 -0.105287D+01 -0.106412D+01
      2  -0.742185D+00 -0.108473D+01 -0.147771D+01 -0.158432D+00 -0.133962D+01
      3  -0.883690D+01 -0.105287D+01 -0.158432D+00 -0.414509D+00 -0.962224D-01
                86            87            88            89            90 
      1  -0.133962D+01 -0.962224D-01 -0.133042D+01 -0.167140D+00 -0.235011D+00
      2  -0.781867D+01 -0.162030D+01 -0.167140D+00 -0.172221D+01 -0.162617D+01
      3  -0.162030D+01 -0.160212D+01 -0.235011D+00 -0.162617D+01 -0.615453D+00
                91            92            93            94            95 
      1  -0.678915D+01 -0.320598D+01  0.220430D+00 -0.196371D+01 -0.163313D+01
      2  -0.320598D+01 -0.258132D+01  0.180905D-01 -0.163313D+01 -0.201196D+01
      3   0.220430D+00  0.180905D-01 -0.102639D+01  0.144627D+00  0.920860D-02
                96            97            98            99           100 
      1   0.144627D+00  0.233810D+01  0.126959D+01 -0.907384D+00 -0.103445D+01
      2   0.920860D-02  0.126959D+01  0.995366D+00 -0.537948D+00  0.255207D+00
      3  -0.548048D+00 -0.907384D+00 -0.537948D+00  0.309987D+00  0.542027D+00
               101           102           103           104           105 
      1   0.255207D+00  0.542027D+00  0.485978D+00 -0.350016D+00 -0.142183D+00
      2  -0.121612D+01 -0.242693D+00 -0.350016D+00  0.141086D+01  0.924224D+00
      3  -0.242693D+00 -0.161691D+01 -0.142183D+00  0.924224D+00  0.167798D+01
               106           107           108           109           110 
      1   0.143986D+01 -0.141708D+00 -0.991049D+00  0.557333D+01  0.219714D+01
      2  -0.141708D+00  0.215912D+01  0.183083D+01  0.219714D+01  0.261750D+01
      3  -0.991049D+00  0.183083D+01  0.376672D+01 -0.428102D+00  0.734902D-01
               111           112           113           114           115 
      1  -0.428102D+00  0.214003D+01  0.123901D+01  0.277129D+00 -0.708679D+00
      2   0.734902D-01  0.123901D+01  0.178125D+01 -0.930520D-01  0.315048D+00
      3   0.668743D+00  0.277129D+00 -0.930520D-01  0.671397D+00  0.327446D+00
               116           117           118           119           120 
      1   0.315048D+00  0.327446D+00  0.951224D+00  0.780549D+00  0.115202D+01
      2  -0.337390D+00  0.584412D+00  0.780549D+00  0.133580D+01  0.581504D+00
      3   0.584412D+00 -0.298762D+00  0.115202D+01  0.581504D+00  0.805750D+00
               121           122           123           124           125 
      1   0.131101D+01  0.126777D+01  0.855824D+00  0.865355D+00  0.475124D+00
      2   0.126777D+01  0.512156D+01  0.194702D+01  0.475124D+00  0.156913D+01
      3   0.855824D+00  0.194702D+01  0.290348D+01  0.483950D+00  0.158796D+01
               126           127           128           129           130 
      1   0.483950D+00 -0.530052D+01 -0.119094D+01  0.226718D+01 -0.114884D+01
      2   0.158796D+01 -0.119094D+01 -0.100212D+01  0.862950D+00 -0.647832D+00
      3   0.172793D+01  0.226718D+01  0.862950D+00 -0.314835D+01  0.547877D+00
               131           132           133           134           135 
      1  -0.647832D+00  0.547877D+00  0.172580D+01  0.554067D+00 -0.206225D+01
      2  -0.725744D+00  0.121331D+01  0.554067D+00  0.914216D+00 -0.739208D+00
      3   0.121331D+01 -0.985348D+00 -0.206225D+01 -0.739208D+00  0.267237D+01
               136           137           138           139           140 
      1   0.401910D+01 -0.256348D+01  0.252799D+01 -0.273581D+01  0.256183D+01
      2  -0.256348D+01  0.246988D+01 -0.135091D+01  0.256183D+01 -0.339543D+01
      3   0.252799D+01 -0.135091D+01  0.229140D+01 -0.138804D+01  0.230861D+01
               141           142           143           144           145 
      1  -0.138804D+01  0.150608D+01 -0.912719D+00  0.159506D+01  0.785416D-01
      2   0.230861D+01 -0.912719D+00  0.149750D+01 -0.157436D+01 -0.232408D+00
      3  -0.235204D+01  0.159506D+01 -0.157436D+01  0.203414D+01 -0.868417D+00
               146           147           148           149           150 
      1  -0.232408D+00 -0.868417D+00 -0.499912D+00  0.721833D+00  0.610622D-01
      2   0.230557D+00  0.105332D-01  0.721833D+00  0.631221D-03 -0.101510D+01
      3   0.105332D-01  0.400943D-01  0.610622D-01 -0.101510D+01 -0.374744D+00
               151           152           153           154           155 
      1  -0.183428D+01  0.116412D+00  0.184659D+01  0.235307D+01  0.159895D+01
      2   0.116412D+00 -0.105949D+01 -0.317543D+00  0.159895D+01  0.203963D+01
      3   0.184659D+01 -0.317543D+00 -0.958827D+01  0.476759D+00  0.874336D-01
               156           157           158           159           160 
      1   0.476759D+00  0.290723D+01  0.244830D+01 -0.132529D+00  0.141486D+01
      2   0.874336D-01  0.244830D+01  0.545409D+01  0.564858D+00  0.331039D+00
      3   0.410342D+00 -0.132529D+00  0.564858D+00  0.123193D+01  0.564172D+00
               161           162           163           164           165 
      1   0.331039D+00  0.564172D+00  0.630163D+01 -0.314168D+01  0.759745D+00
      2   0.121191D+01  0.873915D+00 -0.314168D+01  0.258978D+01 -0.289912D+00
      3   0.873915D+00 -0.165482D-01  0.759745D+00 -0.289912D+00  0.863039D+00
               166           167           168           169           170 
      1  -0.456540D+01  0.337288D+01 -0.164022D+00  0.242443D+01 -0.764157D+00
      2   0.337288D+01 -0.318476D+01  0.609431D+00 -0.764157D+00  0.107693D+01
      3  -0.164022D+00  0.609431D+00 -0.114944D+01  0.108340D+01 -0.875844D+00
               171 
      1   0.108340D+01
      2  -0.875844D+00
      3   0.120892D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.340771D+01  0.355260D+01  0.398313D+00  0.458786D+01  0.129671D+01
      2  -0.876895D+01  0.229668D+01  0.997677D+00  0.342617D+01 -0.920338D+01
      3  -0.680649D+01  0.883732D+01  0.116999D+01  0.165641D+02  0.994067D+01
                 6             7             8             9            10 
      1  -0.665544D+00  0.646538D+00  0.351156D+01  0.137905D+01  0.349037D+01
      2   0.963049D+00 -0.861130D+01  0.114837D+01  0.207708D+02  0.718296D+01
      3   0.407912D+01 -0.773699D+00  0.637884D+01 -0.105838D+01  0.799743D+00
                11            12            13            14            15 
      1  -0.779801D+00  0.208616D+00 -0.772960D+00  0.405139D+01 -0.516126D+01
      2  -0.145317D+01  0.448223D+01 -0.418248D+01  0.437793D+01 -0.222751D+00
      3  -0.455317D+01 -0.173956D+01  0.181367D+01 -0.111867D+02 -0.314133D+01
                16            17            18            19            20 
      1  -0.715789D+00  0.205782D+01 -0.255620D+01 -0.274829D+01 -0.207851D+00
      2  -0.266053D+01  0.898942D+00 -0.483391D+01 -0.183939D+01  0.212214D+01
      3  -0.100131D+01 -0.283351D+01 -0.742458D+00  0.735998D+01 -0.605289D+01
                21            22            23            24            25 
      1  -0.126939D+01  0.202523D+01  0.970463D-01  0.206595D+01 -0.269478D+01
      2   0.237038D+01  0.591681D+01 -0.183829D+01  0.215358D+01 -0.747774D+01
      3   0.761526D+00  0.168902D+01  0.653339D+00 -0.731560D+00 -0.215014D+01
                26            27            28            29            30 
      1   0.477132D+01 -0.217153D+01  0.149384D+01  0.325425D+01  0.171375D+01
      2   0.121241D+01 -0.188616D+01 -0.615845D+01 -0.962015D+00 -0.511933D+01
      3   0.132155D+01  0.209653D+00 -0.100756D+02  0.269597D+01 -0.205610D+01
                31            32            33            34            35 
      1   0.149359D+00 -0.788338D+01 -0.491386D+00  0.117319D+01  0.200499D+01
      2   0.330414D+01  0.201872D+01  0.266542D+00 -0.980396D+01  0.221145D+00
      3   0.419579D+01  0.338708D+01 -0.232937D+01 -0.593605D+01 -0.675497D+01
                36            37            38            39            40 
      1   0.665412D+01 -0.291452D+01 -0.748685D+00 -0.544541D+00  0.345960D-01
      2   0.893642D+01  0.577556D+01  0.278521D+01  0.110656D+01 -0.280719D+01
      3  -0.216786D+01 -0.122949D+01 -0.139873D+01  0.711440D+00  0.504508D+01
                41            42            43            44            45 
      1   0.235157D+01 -0.444130D+01  0.252959D+01  0.351317D+01 -0.295587D+01
      2   0.229012D+01  0.206530D+01 -0.502154D+01  0.141365D+01  0.560154D+01
      3  -0.758427D+01 -0.219323D+01  0.254155D+01 -0.196101D+01 -0.270124D+01
                46            47            48            49            50 
      1   0.276237D+01 -0.571084D+01  0.381707D+00 -0.619908D+01 -0.728402D+01
      2  -0.965755D+01 -0.616143D+01  0.132389D+02 -0.453530D+01  0.156906D+01
      3  -0.500990D+01  0.115775D-01  0.228466D+01  0.460265D+01  0.554560D+01
                51            52            53            54            55 
      1  -0.100410D+02 -0.330613D-01 -0.364995D+01  0.287497D+01  0.106545D+01
      2  -0.305063D-01  0.578047D+01  0.243496D+00  0.232005D+01 -0.203720D+01
      3   0.415042D+01  0.212607D+01  0.345657D+01  0.243331D-01 -0.128736D+02
                56            57            58            59            60 
      1   0.241454D+01 -0.307308D+01  0.437510D+00 -0.269950D+01 -0.327192D+01
      2   0.162581D+00  0.267445D+01 -0.691082D+00 -0.184391D+00 -0.118502D+01
      3  -0.715655D+01 -0.314247D+00  0.460315D+01 -0.707681D+00  0.585040D+00
                61            62            63            64            65 
      1  -0.246294D+01  0.713526D+01  0.918700D+01 -0.640666D+00 -0.294484D+01
      2  -0.222043D+01 -0.227521D+00  0.926186D+00 -0.150774D+01  0.217020D+01
      3  -0.211894D+01 -0.174179D+01  0.380260D+01  0.247460D+01 -0.843631D+01
                66            67            68            69            70 
      1   0.131151D+01  0.673554D+00  0.272850D+01 -0.327883D+01 -0.453526D+00
      2   0.946243D+01  0.905947D+00 -0.498853D+01 -0.339449D+01  0.111387D+01
      3  -0.620617D+00  0.681973D+00  0.627292D+01  0.388966D+01  0.400336D+01
                71            72            73            74            75 
      1   0.504118D+01 -0.239692D+01  0.634779D+00 -0.384268D+00  0.321933D+00
      2  -0.337505D+01 -0.137740D+02  0.773676D+00 -0.745640D+00 -0.370053D+00
      3   0.742055D+01  0.352726D+01 -0.130058D+00 -0.800924D-01 -0.490830D+00
                76            77            78            79            80 
      1  -0.475661D+00  0.732804D+00  0.165217D+00  0.397119D+00  0.351182D+01
      2  -0.112628D+01  0.140263D+00 -0.235144D+00 -0.405519D+01  0.183876D-01
      3   0.155942D+01 -0.154212D+00 -0.313997D+00  0.502074D+00 -0.267379D+00
                81            82            83            84            85 
      1   0.185765D+01 -0.126572D+01 -0.569678D-01 -0.607150D+00 -0.209233D+00
      2   0.649797D+00 -0.172496D+01 -0.301643D+00  0.661341D-01 -0.488166D+00
      3  -0.140566D+00  0.396818D+01  0.177329D+01  0.122528D+01  0.550974D+01
                86            87            88            89            90 
      1   0.674271D-01 -0.376882D+01 -0.116793D+00  0.135477D+00 -0.444007D+00
      2  -0.165826D+01 -0.133879D+01 -0.204486D+01 -0.174951D+01 -0.544343D+00
      3   0.915568D+01  0.201299D+01  0.201414D+01  0.199487D+01  0.197729D+01
                91            92            93            94            95 
      1   0.317046D+01  0.197964D+01 -0.165496D+01  0.174631D+01  0.160053D+01
      2  -0.522110D+01 -0.286788D+01  0.330545D+01 -0.218978D+01 -0.150794D+01
      3   0.208182D+01 -0.286525D+01 -0.499241D+00  0.302213D+00 -0.166229D+01
                96            97            98            99           100 
      1  -0.838434D+00 -0.173922D+01 -0.706663D+00  0.110274D+01 -0.172347D+01
      2   0.142526D+01  0.270212D+01  0.159161D+01 -0.215991D+01  0.491455D+00
      3   0.137706D+00 -0.234541D+00  0.133609D+01 -0.327843D+00 -0.230368D+01
               101           102           103           104           105 
      1  -0.123712D-01  0.416677D+01  0.703012D-02 -0.197066D+01 -0.452537D+01
      2   0.413005D+00  0.921773D-01  0.306359D+00  0.367860D-01  0.350637D-01
      3  -0.576610D+00  0.149193D+01  0.715298D+00 -0.894202D+00 -0.165020D+00
               106           107           108           109           110 
      1   0.276555D+01 -0.302955D+01 -0.113072D+02 -0.468398D+00 -0.149645D+01
      2  -0.191279D+01  0.173019D+00 -0.100937D+01  0.229648D+01  0.520847D+00
      3   0.449360D+01 -0.342733D+00 -0.317022D+01  0.160632D+02  0.176555D+01
               111           112           113           114           115 
      1  -0.233740D+01 -0.130273D+01 -0.551015D+00 -0.134175D+01 -0.657034D+00
      2   0.163015D+01  0.553804D+00  0.445132D+00  0.888351D+00 -0.840492D+00
      3  -0.581524D+00  0.438611D+01  0.219635D+01  0.731857D+00 -0.139938D+01
               116           117           118           119           120 
      1   0.147305D+00 -0.550990D+00  0.223637D+01  0.287411D+01  0.132535D+01
      2   0.454346D+00  0.150234D+00  0.205876D+00 -0.664475D+00  0.278911D+00
      3   0.651182D+00  0.286740D+00 -0.920848D+00 -0.286216D+01 -0.123907D+01
               121           122           123           124           125 
      1   0.247164D+01  0.134888D+02  0.274894D+01  0.162798D+01  0.493389D+01
      2  -0.228539D+01  0.273060D+00  0.303205D+01 -0.219993D+01  0.985025D+00
      3   0.115101D+00 -0.827733D+01 -0.234238D+01 -0.747553D+00 -0.175881D+01
               126           127           128           129           130 
      1   0.366810D+01 -0.305402D+00 -0.231303D+01 -0.122213D+01 -0.105806D+01
      2   0.132447D+01  0.161755D+02  0.302611D+01 -0.570870D+01  0.267470D+01
      3  -0.249186D+01  0.579430D+01  0.172420D+00 -0.183811D+01  0.248152D+01
               131           132           133           134           135 
      1  -0.773160D-01  0.467915D+00 -0.547117D+00  0.239029D+01  0.485903D+00
      2   0.250977D+01 -0.182766D+01 -0.752685D+01 -0.202943D+01  0.601194D+01
      3   0.881654D+00 -0.162462D+01 -0.162773D+01 -0.578451D+00  0.223306D+01
               136           137           138           139           140 
      1  -0.274178D+01  0.442914D+01  0.256324D+00  0.368763D+01 -0.477558D+01
      2  -0.422595D+01  0.275445D+01  0.677478D+00  0.387070D+01 -0.144420D+01
      3  -0.194168D+00 -0.294853D+01  0.129195D+00  0.158725D+00  0.334055D+01
               141           142           143           144           145 
      1   0.647708D+00 -0.704656D+00  0.275985D+01 -0.831410D+00 -0.216195D+00
      2  -0.149259D+01 -0.263109D+01 -0.333434D-01  0.405896D+00 -0.274617D+01
      3  -0.213690D+01 -0.498262D+00 -0.185540D+01  0.932166D+00  0.835039D+00
               146           147           148           149           150 
      1  -0.133155D+00 -0.362120D-01 -0.519208D+00 -0.417064D+00 -0.114318D+00
      2  -0.121708D+00  0.396085D+00 -0.323777D+00 -0.157521D+01 -0.868806D+00
      3  -0.125969D+01  0.317061D+00 -0.870145D+00 -0.618655D+00  0.233115D+01
               151           152           153           154           155 
      1   0.410646D+00  0.360498D+01 -0.285398D+01 -0.114814D+01 -0.176421D+01
      2  -0.395607D+00 -0.696282D+00 -0.239064D+02  0.294258D+01  0.169199D+01
      3   0.483444D+00  0.297946D+01  0.404644D+00 -0.477711D+01 -0.689076D+01
               156           157           158           159           160 
      1  -0.830662D+00 -0.184106D+01 -0.413784D+01 -0.247266D+01 -0.341240D+00
      2   0.243664D+01  0.150473D+01  0.422732D+01  0.434188D+01  0.122130D+01
      3  -0.463036D+00 -0.462031D+01 -0.185879D+02 -0.218492D+01 -0.564943D+00
               161           162           163           164           165 
      1   0.244118D+00 -0.102580D+01  0.272665D+01 -0.195180D+01  0.149126D+01
      2   0.263134D+01  0.656719D+00  0.681371D+01 -0.364568D+01  0.506918D+01
      3  -0.408796D+01 -0.245921D+01  0.507075D+01 -0.813761D+01  0.723281D+00
               166           167           168           169           170 
      1  -0.221309D+01  0.236203D+01 -0.276978D+01  0.788894D+00 -0.414637D+00
      2  -0.383391D+01  0.451203D+01 -0.457530D+01  0.345360D+01 -0.274981D+01
      3  -0.580212D+01  0.816861D+01 -0.198727D+01  0.888320D+00 -0.335710D+01
               171 
      1   0.912287D+00
      2   0.159271D+01
      3   0.186188D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.116721D+01  0.123918D+02 -0.170774D+02  0.142504D+02 -0.267446D+02
      2  -0.569192D+01 -0.423111D+01  0.789128D+01 -0.491646D+01  0.796149D+01
      3   0.685913D+01 -0.816068D+01  0.918608D+01 -0.933395D+01  0.187831D+02
      4   0.154175D+02 -0.240124D+02  0.288401D+01 -0.308911D+02 -0.996263D+01
      5  -0.178260D+02 -0.651134D+00  0.561466D+01 -0.136161D+01 -0.759333D+01
      6   0.541611D+00  0.303041D+01 -0.746162D+00  0.267073D+01  0.380046D+01
                 6             7             8             9            10 
      1  -0.926817D-01 -0.214156D+02  0.241254D+01  0.131602D+02 -0.884569D+01
      2   0.121128D+01  0.694527D+01  0.160812D+00  0.827912D+01  0.201773D+00
      3  -0.111860D+01  0.144703D+02 -0.257335D+01 -0.214393D+02  0.864392D+01
      4  -0.976530D+01  0.492357D+01 -0.126839D+02  0.224129D+01 -0.552293D+01
      5   0.147361D+01  0.268670D+01  0.147467D+01  0.298666D+02  0.139378D+02
      6   0.148717D+01  0.215714D+00  0.179144D+01 -0.686962D+01 -0.443945D+01
                11            12            13            14            15 
      1  -0.221977D+01  0.127325D+02 -0.283331D+01  0.186298D+02  0.359396D+01
      2  -0.597417D+00 -0.885739D+01  0.187041D+00 -0.225611D+02 -0.545825D+01
      3   0.281718D+01 -0.387511D+01  0.264627D+01  0.393133D+01  0.186429D+01
      4   0.863752D+01 -0.250588D+01  0.158362D+02  0.285654D+01  0.443235D+01
      5   0.349789D+00 -0.238867D+01  0.407516D+00  0.442253D+01 -0.944822D-01
      6  -0.541024D+00  0.196120D+00  0.976672D-01 -0.838221D+01  0.246188D+01
                16            17            18            19            20 
      1   0.161312D+02  0.129130D+01  0.215735D+01 -0.447263D+01 -0.294536D+00
      2  -0.833189D+01 -0.424548D+01 -0.138897D+01  0.782480D+01 -0.318135D+01
      3  -0.779930D+01  0.295418D+01 -0.768376D+00 -0.335217D+01  0.347588D+01
      4  -0.431701D+01  0.533929D+01  0.893660D+00  0.276156D+00 -0.125681D+01
      5  -0.182234D+01  0.121965D+01 -0.115485D+02 -0.421734D+01 -0.866743D+00
      6  -0.392600D+00 -0.206790D+01  0.391257D+01  0.588832D+00  0.370840D+00
                21            22            23            24            25 
      1  -0.216922D+01  0.299214D+01  0.354166D+00  0.123763D+01 -0.691285D+01
      2   0.375097D+01 -0.402934D+01 -0.164991D+01  0.340058D+01  0.397534D+01
      3  -0.158175D+01  0.103720D+01  0.129574D+01 -0.463821D+01  0.293750D+01
      4   0.567802D+00 -0.106411D+02  0.404409D+01 -0.181915D+01  0.252687D+01
      5   0.182560D+01  0.417836D+00  0.693186D+00  0.371019D+01  0.189735D+01
      6  -0.475363D+00 -0.236035D+01  0.383860D+01 -0.587598D+01 -0.996162D+00
                26            27            28            29            30 
      1   0.643980D+01  0.825618D+01 -0.860805D+01  0.874695D+01 -0.489211D+00
      2  -0.360456D+01  0.164281D+02  0.358894D+01 -0.662253D+01 -0.340977D+01
      3  -0.283524D+01 -0.246843D+02  0.501911D+01 -0.212441D+01  0.389898D+01
      4  -0.767213D-01 -0.154776D+01  0.680251D+01 -0.883554D+01 -0.735043D+01
      5  -0.501995D+00 -0.197393D+00  0.736298D+01 -0.706644D+01 -0.114821D+02
      6   0.440528D+01 -0.106363D+01 -0.472907D+01  0.166860D+01 -0.244036D+01
                31            32            33            34            35 
      1   0.113652D+02  0.235371D+01 -0.367257D+01  0.133696D+02 -0.292701D+01
      2  -0.665595D+01 -0.532890D+01  0.808354D+01 -0.772417D+01 -0.280051D+01
      3  -0.470929D+01  0.297519D+01 -0.441097D+01 -0.564542D+01  0.572752D+01
      4  -0.531554D+01 -0.213726D+01  0.373017D+00 -0.101014D+02  0.776110D+01
      5  -0.146604D+02  0.133261D+01 -0.227928D+01 -0.999913D+01  0.182859D+01
      6  -0.210960D+01 -0.591404D+01 -0.186372D+01 -0.106311D+01 -0.174142D+01
                36            37            38            39            40 
      1  -0.658402D+01 -0.139003D+02 -0.650854D+01  0.730268D+01 -0.513918D+01
      2   0.536959D+01  0.214668D+01  0.278889D+01 -0.450980D+01  0.232110D+01
      3   0.121444D+01  0.117536D+02  0.371965D+01 -0.279288D+01  0.281808D+01
      4   0.402798D+01 -0.121768D+02 -0.225898D+01  0.577544D+01  0.629705D+01
      5   0.149271D+02  0.729939D+01  0.333533D+01  0.743395D+01  0.719251D+01
      6  -0.517997D+01  0.492622D+01  0.203273D+01  0.141186D+01  0.517410D+01
                41            42            43            44            45 
      1  -0.140915D+02 -0.118210D+01  0.119244D+02  0.125343D+01 -0.428402D+01
      2   0.200000D+02  0.238133D+00 -0.493909D+01  0.213195D+01 -0.399335D+01
      3  -0.590849D+01  0.943968D+00 -0.698531D+01 -0.338539D+01  0.827737D+01
      4   0.145579D+02  0.693575D+01  0.128457D+02  0.102109D+02  0.495652D+01
      5   0.696459D+01  0.695954D+01  0.115681D+02  0.768254D+01  0.141123D+02
      6   0.822058D+01  0.932091D+01  0.295554D+01  0.978402D+01  0.859037D+01
                46            47            48            49            50 
      1   0.115331D+02  0.658486D+01 -0.104891D+02  0.545899D+01 -0.372080D+01
      2  -0.498871D+00 -0.696032D-01  0.292608D+01  0.236572D+00  0.945544D+01
      3  -0.110342D+02 -0.651525D+01  0.756305D+01 -0.569556D+01 -0.573464D+01
      4   0.587430D+01 -0.140262D+02  0.845906D+01 -0.153574D+02 -0.185552D+01
      5  -0.530177D+01  0.100935D+02 -0.121299D+02  0.860819D+01 -0.186180D+02
      6   0.156270D+02 -0.111860D+02 -0.200415D+00 -0.124882D+02 -0.474984D+01
                51            52            53            54            55 
      1   0.804259D+00 -0.100991D+02 -0.548197D+00 -0.699395D+01  0.182247D+01
      2   0.312307D+01  0.245387D+01  0.261998D+01 -0.561363D+01 -0.351976D+01
      3  -0.392733D+01  0.764522D+01 -0.207178D+01  0.126076D+02  0.169729D+01
      4  -0.114920D+02  0.675671D+01 -0.848029D+01 -0.952776D-01 -0.176737D+02
      5   0.113229D+01 -0.116130D+02 -0.757614D+00  0.100412D+02  0.564733D+01
      6  -0.140083D+02 -0.378274D+00 -0.104146D+02 -0.837007D+00 -0.125628D+01
                56            57            58            59            60 
      1  -0.108022D+01  0.178511D+01 -0.263464D+01 -0.212815D+02  0.317173D+01
      2  -0.281493D+01 -0.181689D+01  0.587086D+00  0.325422D+02 -0.539231D+01
      3   0.389515D+01  0.317776D-01  0.204756D+01 -0.112606D+02  0.222057D+01
      4  -0.119966D+01 -0.210766D+01  0.298914D+01 -0.395656D+01  0.786659D+00
      5  -0.138838D+01  0.399588D+01 -0.213882D+00  0.655787D-01 -0.266034D+01
      6  -0.609566D+00  0.419156D+01  0.972503D+00 -0.689067D+01  0.618464D+01
                61            62            63            64            65 
      1   0.108183D+01  0.522974D+01 -0.981190D+00  0.350657D+02 -0.889573D+01
      2  -0.324043D+01 -0.291965D+01 -0.623592D+01 -0.189172D+02  0.344232D+01
      3   0.215860D+01 -0.231008D+01  0.721711D+01 -0.161485D+02  0.545341D+01
      4  -0.244795D+01 -0.220239D+00  0.328857D+01 -0.139763D+02  0.174283D+02
      5   0.351277D+01 -0.913213D-01  0.146896D+01 -0.169544D+02  0.736752D+01
      6   0.301024D+01  0.139517D+01 -0.160246D+02  0.224407D+01 -0.297831D+01
                66            67            68            69            70 
      1  -0.871134D+01 -0.116606D+02  0.153869D+01  0.868362D+00 -0.143528D+02
      2   0.938384D+01  0.455085D+01  0.483531D+01 -0.207190D+01  0.974902D+01
      3  -0.672498D+00  0.710978D+01 -0.637400D+01  0.120353D+01  0.460379D+01
      4   0.733275D+01  0.160738D+02 -0.164693D+02 -0.922005D+01  0.550598D+01
      5   0.194410D+02  0.683226D+01 -0.957432D+01 -0.677221D+01  0.212189D+02
      6  -0.165820D+01 -0.418818D+01  0.317436D+01  0.754276D+01 -0.317911D+01
                71            72            73            74            75 
      1   0.782731D-01  0.183707D+01  0.105545D+01  0.113923D+00 -0.332696D-01
      2  -0.130727D+00 -0.145639D+02 -0.516122D+01  0.463670D+00 -0.488616D-01
      3   0.524543D-01  0.127269D+02  0.410577D+01 -0.577593D+00  0.821312D-01
      4  -0.130466D+02 -0.106266D+02 -0.279596D+00  0.149814D+01 -0.352481D+00
      5  -0.914911D+01 -0.289189D+02 -0.648424D-01  0.378224D+00  0.617751D+01
      6   0.740055D+01  0.392017D+01 -0.155376D+00  0.277882D+00 -0.269169D+00
                76            77            78            79            80 
      1   0.743680D+00 -0.357883D+01 -0.804722D+00  0.102748D+01  0.102032D+00
      2   0.134654D+00 -0.844586D+00 -0.281837D+01  0.324103D-01 -0.399111D+01
      3  -0.878334D+00  0.442342D+01  0.362309D+01 -0.105989D+01  0.388908D+01
      4   0.237545D+01 -0.301272D+00  0.325606D+00  0.762802D-01  0.864769D-01
      5   0.398877D+00 -0.110098D+00 -0.262394D+00  0.524788D+01  0.125559D+00
      6   0.590828D+00  0.267657D+00  0.694073D+01  0.644594D+00  0.475567D+01
                81            82            83            84            85 
      1  -0.193907D+02 -0.119226D+01 -0.400072D+01 -0.264391D+01 -0.521848D+01
      2  -0.190187D+02  0.464225D+01  0.516223D+01  0.233046D+01  0.568718D+01
      3   0.384093D+02 -0.344999D+01 -0.116150D+01  0.313449D+00 -0.468703D+00
      4   0.106296D+01  0.100770D+01  0.394202D+01  0.108708D+01  0.261704D+01
      5   0.725558D+00 -0.150062D+01  0.854405D+00  0.111360D+01  0.120105D+01
      6  -0.175582D+01  0.204252D+01  0.170902D+01  0.920702D+00  0.127860D+01
                86            87            88            89            90 
      1  -0.197158D+02 -0.277672D+01 -0.390286D+01 -0.396624D+01 -0.504940D+01
      2   0.313116D+02  0.556060D+01  0.260603D+01  0.448839D+01  0.354815D+01
      3  -0.115959D+02 -0.278388D+01  0.129683D+01 -0.522147D+00  0.150125D+01
      4  -0.942597D+01 -0.205339D+01  0.630194D+00 -0.212258D+01 -0.170916D+01
      5  -0.215960D+01 -0.311282D+01  0.208523D+01 -0.224833D+01 -0.167593D+00
      6   0.827024D+01  0.671730D+01  0.152329D+01  0.865283D+01  0.432072D+01
                91            92            93            94            95 
      1   0.330182D+02  0.125922D+02 -0.206842D+01  0.551530D+01  0.440361D+01
      2  -0.113339D+02 -0.193775D+01 -0.426021D-01  0.856903D+00  0.219550D+01
      3  -0.216843D+02 -0.106544D+02  0.211102D+01 -0.637221D+01 -0.659911D+01
      4   0.246830D+02  0.162578D+02 -0.725262D+00  0.116507D+02  0.109352D+02
      5   0.271406D+01  0.151745D+01  0.459941D+01  0.674484D+00  0.754688D+00
      6  -0.891464D+00  0.218322D+00  0.210283D+01  0.331512D+00  0.269497D+00
                96            97            98            99           100 
      1  -0.391180D+00 -0.102000D+02 -0.453541D+01  0.308924D+01 -0.222409D+00
      2  -0.377692D+00  0.304783D+01  0.395690D+00 -0.124525D+01  0.573865D+00
      3   0.768872D+00  0.715218D+01  0.413972D+01 -0.184399D+01 -0.351456D+00
      4  -0.441267D+00 -0.893644D+01 -0.614829D+01  0.386799D+01 -0.152995D+01
      5   0.186774D+01  0.468535D+01  0.246481D+01 -0.172325D+01 -0.832734D+00
      6   0.166264D+01  0.303305D+01  0.214532D+01 -0.137078D+01  0.259342D+01
               101           102           103           104           105 
      1   0.291504D+01 -0.633560D-01  0.122808D+01 -0.395878D+01 -0.269605D+01
      2  -0.440172D+01 -0.993482D+00 -0.161535D+01  0.604007D+01  0.372441D+01
      3   0.148667D+01  0.105684D+01  0.387268D+00 -0.208129D+01 -0.102836D+01
      4   0.255633D+01  0.188581D+01  0.261605D+01 -0.153358D+01 -0.772049D+00
      5   0.429733D+00  0.801509D+00  0.419441D+00 -0.607918D+00  0.103522D+00
      6   0.139479D+00 -0.587842D+01 -0.697870D+00  0.379754D+01  0.844992D+01
               106           107           108           109           110 
      1   0.866933D+00 -0.665080D+01 -0.778742D+01  0.543265D+01 -0.283853D+01
      2  -0.344212D+00  0.856091D+01  0.551341D+01  0.402368D+01  0.948269D+01
      3  -0.522721D+00 -0.191011D+01  0.227400D+01 -0.945633D+01 -0.664416D+01
      4   0.404774D+01 -0.989500D+00 -0.369770D+01  0.202702D+02  0.133910D+02
      5   0.132462D+01 -0.665687D+00 -0.395082D+00 -0.407940D+01 -0.102928D+01
      6  -0.470736D+01  0.101572D+02  0.155944D+02 -0.228446D+01 -0.867463D+00
               111           112           113           114           115 
      1  -0.102435D+01  0.136741D+00 -0.129076D+01  0.427418D+00 -0.157617D+01
      2   0.997232D+00  0.432597D+01  0.627040D+01 -0.601400D+00  0.223909D+01
      3   0.271150D-01 -0.446272D+01 -0.497965D+01  0.173981D+00 -0.662914D+00
      4  -0.129987D+01  0.113645D+02  0.767584D+01  0.107891D+01 -0.118755D+01
      5   0.253553D+01 -0.350629D+00 -0.453082D+00  0.122439D+01  0.317650D+01
      6   0.297206D+01  0.565689D+00 -0.749578D+00  0.284554D+01  0.134351D+01
               116           117           118           119           120 
      1   0.478372D+00 -0.789412D+00  0.227769D+01  0.233214D+01  0.190845D+01
      2   0.409231D+00  0.864322D+00 -0.329724D+01 -0.266502D+01 -0.315772D+01
      3  -0.887603D+00 -0.749098D-01  0.101954D+01  0.332885D+00  0.124927D+01
      4   0.108172D+01  0.164855D+01  0.368608D+01  0.676386D+01  0.148005D+01
      5   0.856372D+00 -0.849971D+00  0.621286D+01  0.433034D+01  0.763496D+01
      6   0.357979D+01 -0.547737D+00  0.224231D+01  0.548241D+01  0.215173D+01
               121           122           123           124           125 
      1   0.350427D+01 -0.309181D+01 -0.472069D+01  0.847227D+00 -0.295396D+01
      2  -0.392550D+01 -0.210358D+00 -0.647026D+01 -0.217379D+01 -0.380211D+01
      3   0.421231D+00  0.330217D+01  0.111910D+02  0.132656D+01  0.675607D+01
      4   0.661415D+01  0.136451D+02  0.664546D+01  0.874312D+00  0.466283D+01
      5   0.693016D+01  0.106184D+02  0.101309D+02  0.593023D+01  0.594503D+01
      6   0.582827D+01  0.185012D+02  0.102976D+02  0.241149D+01  0.971622D+01
               126           127           128           129           130 
      1  -0.409349D+01 -0.899640D+01 -0.530271D+01  0.123235D+02 -0.423579D+01
      2  -0.434042D+01  0.300263D+00  0.227641D+01  0.258457D+01  0.233183D+01
      3   0.843391D+01  0.869614D+01  0.302630D+01 -0.149081D+02  0.190396D+01
      4   0.434942D+01  0.589479D+01  0.341046D+01 -0.343421D+01  0.408690D+01
      5   0.653104D+01 -0.134413D+02 -0.372958D+01  0.578857D+01 -0.358941D+01
      6   0.699664D+01 -0.702382D+01 -0.548152D+01  0.683596D+01 -0.370514D+01
               131           132           133           134           135 
      1  -0.451706D+01  0.391772D+01  0.934224D+01  0.355651D+01 -0.114246D+02
      2   0.193496D+01 -0.113552D+01  0.188680D+01 -0.439577D+00 -0.411018D+01
      3   0.258210D+01 -0.278220D+01 -0.112290D+02 -0.311694D+01  0.155348D+02
      4   0.165390D+01  0.489253D+00 -0.244131D+01 -0.881911D-01  0.225116D+01
      5  -0.108386D+00  0.823765D+00  0.720397D+01  0.152299D+01 -0.535562D+01
      6  -0.408449D+01  0.706019D+01  0.468847D+01  0.596783D+01 -0.615857D+01
               136           137           138           139           140 
      1   0.116901D+02 -0.448662D+01  0.242983D+01 -0.459133D+01 -0.216160D+01
      2  -0.759080D+01  0.527886D+00 -0.591129D+01  0.139783D+00  0.560063D+01
      3  -0.409930D+01  0.395873D+01  0.348147D+01  0.445154D+01 -0.343903D+01
      4  -0.157509D+02  0.141410D+02 -0.849529D+01  0.148978D+02 -0.161614D+02
      5   0.198745D+02 -0.120234D+02  0.164413D+02 -0.125644D+02  0.135347D+02
      6  -0.115399D+02  0.111799D+02 -0.855795D+01  0.111416D+02 -0.154936D+02
               141           142           143           144           145 
      1   0.340725D+01  0.139057D+01  0.241761D+01 -0.194950D+01  0.332623D+00
      2   0.809320D+00 -0.441408D+01  0.122342D+01 -0.441176D+01 -0.267895D+01
      3  -0.421657D+01  0.302350D+01 -0.364104D+01  0.636126D+01  0.234633D+01
      4   0.949781D+01 -0.544499D+01  0.614332D+01 -0.749482D+01 -0.148218D+01
      5  -0.112579D+02  0.123246D+02 -0.811579D+01  0.120407D+02 -0.417161D+01
      6   0.133511D+02 -0.652076D+01  0.999198D+01 -0.988395D+01  0.965775D+00
               146           147           148           149           150 
      1  -0.157390D+01 -0.540132D+01 -0.192119D+01  0.546091D+00 -0.128662D+01
      2   0.639206D+00  0.308123D+01  0.588708D+00 -0.129892D+01  0.699295D+00
      3   0.934695D+00  0.232009D+01  0.133248D+01  0.752826D+00  0.587320D+00
      4   0.287019D+01  0.482533D+00  0.530055D+01 -0.867047D-01 -0.456004D+01
      5   0.288984D+00  0.676076D+01  0.708815D+00 -0.429789D+01 -0.135552D+01
      6   0.243304D-01  0.341376D+00 -0.135859D+01  0.141928D+01  0.674745D+01
               151           152           153           154           155 
      1  -0.727793D+01 -0.109196D+01 -0.132224D+02  0.165364D+02  0.977651D+01
      2   0.810228D+01  0.237514D+00 -0.199408D+02 -0.559770D+01 -0.320256D+01
      3  -0.824356D+00  0.854444D+00  0.331633D+02 -0.109387D+02 -0.657395D+01
      4   0.103972D+01 -0.521761D+01 -0.233819D+01  0.107553D+02  0.154134D+02
      5   0.150581D+02 -0.175204D+01 -0.454652D+02  0.152633D+01  0.231653D+00
      6  -0.178564D+01  0.647112D+01  0.808524D+01 -0.127005D+01 -0.220966D+01
               156           157           158           159           160 
      1   0.302392D+01  0.170889D+02  0.113913D+02  0.226226D+00  0.820289D+01
      2  -0.986224D+00 -0.708377D+01  0.274595D+01  0.132311D+01 -0.344865D+01
      3  -0.203770D+01 -0.100052D+02 -0.141373D+02 -0.154934D+01 -0.475424D+01
      4   0.105987D+01  0.187620D+02  0.301383D+02  0.322900D+01  0.248756D+01
      5   0.308205D+01 -0.169294D+01  0.302438D+01  0.759636D+01  0.392206D+01
      6   0.559279D+00 -0.178816D+01 -0.487401D+01  0.189189D+01  0.103815D+01
               161           162           163           164           165 
      1   0.185456D+01  0.870309D+00  0.436513D+02 -0.185947D+02  0.538026D+01
      2   0.292095D+00 -0.181081D+01 -0.165200D+02  0.511199D+01 -0.156930D+01
      3  -0.214665D+01  0.940499D+00 -0.271313D+02  0.134827D+02 -0.381096D+01
      4   0.649558D+01  0.486605D+01 -0.265320D+02  0.212002D+02 -0.269536D+01
      5   0.536979D+01  0.587290D+00  0.135139D+01 -0.373969D+00  0.690278D+01
      6   0.173427D+01  0.107647D+01  0.181810D+01 -0.226037D+01 -0.145744D+01
               166           167           168           169           170 
      1  -0.238779D+02  0.143219D+02 -0.139653D+01  0.131953D+02 -0.380590D+01
      2   0.593608D+01  0.222765D+01 -0.111704D+01 -0.477935D+01  0.484313D-01
      3   0.179418D+02 -0.165496D+02  0.251357D+01 -0.841596D+01  0.375746D+01
      4   0.269818D+02 -0.238736D+02  0.386593D+01 -0.683794D+01  0.729279D+01
      5   0.642151D+00  0.211193D+01 -0.722741D+01  0.785020D+01 -0.546509D+01
      6  -0.241883D+01  0.162688D+01  0.293468D+01 -0.209797D+01  0.219585D+01
               171 
      1   0.374750D+01
      2  -0.276128D+01
      3  -0.986222D+00
      4  -0.594462D+01
      5   0.185728D+01
      6  -0.756963D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:57:13 2021, MaxMem=  5368709120 cpu:            6684.6 elap:             837.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52166 -19.46832 -14.60033 -10.58859 -10.48527
 Alpha  occ. eigenvalues --  -10.45577 -10.43846 -10.43281  -1.25282  -1.15155
 Alpha  occ. eigenvalues --   -1.03188  -0.93401  -0.85281  -0.82474  -0.74357
 Alpha  occ. eigenvalues --   -0.69776  -0.65589  -0.62281  -0.61099  -0.58675
 Alpha  occ. eigenvalues --   -0.57025  -0.56081  -0.53370  -0.52981  -0.50324
 Alpha  occ. eigenvalues --   -0.49479  -0.46753  -0.46046  -0.45032  -0.44244
 Alpha  occ. eigenvalues --   -0.40419  -0.35352
 Alpha virt. eigenvalues --    0.03483   0.05231   0.06631   0.07600   0.08578
 Alpha virt. eigenvalues --    0.09578   0.10242   0.10828   0.11415   0.12800
 Alpha virt. eigenvalues --    0.14417   0.15598   0.15713   0.16464   0.17047
 Alpha virt. eigenvalues --    0.19435   0.19736   0.20402   0.21292   0.21432
 Alpha virt. eigenvalues --    0.22661   0.23295   0.23807   0.25490   0.25946
 Alpha virt. eigenvalues --    0.26552   0.28549   0.28679   0.29190   0.30210
 Alpha virt. eigenvalues --    0.30710   0.32121   0.32812   0.33332   0.33938
 Alpha virt. eigenvalues --    0.35286   0.35432   0.35612   0.36177   0.36953
 Alpha virt. eigenvalues --    0.37546   0.38240   0.38629   0.39330   0.39607
 Alpha virt. eigenvalues --    0.40487   0.40985   0.42152   0.42678   0.42927
 Alpha virt. eigenvalues --    0.43337   0.44548   0.45024   0.45336   0.45795
 Alpha virt. eigenvalues --    0.46970   0.47230   0.48217   0.48523   0.48918
 Alpha virt. eigenvalues --    0.50278   0.50814   0.51434   0.51776   0.52336
 Alpha virt. eigenvalues --    0.53859   0.54263   0.55369   0.55902   0.56913
 Alpha virt. eigenvalues --    0.57562   0.57935   0.58316   0.59001   0.59781
 Alpha virt. eigenvalues --    0.60201   0.60867   0.61272   0.62843   0.63392
 Alpha virt. eigenvalues --    0.64645   0.65116   0.65857   0.66593   0.66997
 Alpha virt. eigenvalues --    0.69142   0.69794   0.70948   0.71501   0.72926
 Alpha virt. eigenvalues --    0.74189   0.75212   0.76099   0.76839   0.78112
 Alpha virt. eigenvalues --    0.78744   0.78984   0.80156   0.81891   0.84064
 Alpha virt. eigenvalues --    0.85001   0.85784   0.87310   0.87492   0.91303
 Alpha virt. eigenvalues --    0.92787   0.94633   0.99585   1.01158   1.02965
 Alpha virt. eigenvalues --    1.05234   1.05549   1.08868   1.09436   1.11101
 Alpha virt. eigenvalues --    1.11921   1.12140   1.13819   1.14350   1.15032
 Alpha virt. eigenvalues --    1.16821   1.22328   1.22625   1.23541   1.26281
 Alpha virt. eigenvalues --    1.28210   1.29829   1.31278   1.32846   1.36128
 Alpha virt. eigenvalues --    1.37301   1.41020   1.42944   1.44547   1.45921
 Alpha virt. eigenvalues --    1.47646   1.51948   1.53447   1.56756   1.58782
 Alpha virt. eigenvalues --    1.61802   1.64231   1.65464   1.67447   1.72697
 Alpha virt. eigenvalues --    1.73729   1.76421   1.78715   1.81650   1.82015
 Alpha virt. eigenvalues --    1.86526   1.87601   1.89629   1.90833   1.92031
 Alpha virt. eigenvalues --    1.94089   1.94304   1.95462   1.95855   1.98802
 Alpha virt. eigenvalues --    2.00669   2.01856   2.03896   2.06277   2.07042
 Alpha virt. eigenvalues --    2.10071   2.10933   2.11485   2.13020   2.14089
 Alpha virt. eigenvalues --    2.16580   2.18093   2.20116   2.22296   2.24842
 Alpha virt. eigenvalues --    2.25673   2.26534   2.29627   2.30977   2.33775
 Alpha virt. eigenvalues --    2.35158   2.38329   2.38965   2.42086   2.42385
 Alpha virt. eigenvalues --    2.47796   2.48877   2.49312   2.52451   2.56744
 Alpha virt. eigenvalues --    2.60406   2.64137   2.66577   2.68821   2.73479
 Alpha virt. eigenvalues --    2.73811   2.74279   2.76160   2.85049   2.94009
 Alpha virt. eigenvalues --    2.95937   2.98179   3.03315   3.06027   3.07271
 Alpha virt. eigenvalues --    3.08312   3.09539   3.13460   3.15249   3.21253
 Alpha virt. eigenvalues --    3.22090   3.24584   3.26520   3.28458   3.31928
 Alpha virt. eigenvalues --    3.35277   3.45933   3.49680   3.66783   3.71688
 Alpha virt. eigenvalues --    3.89124   4.01072
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.332820   0.325894  -0.028112   0.016024   0.007513  -0.038819
     2  C    0.325894   5.857688   0.102112   0.034412  -0.053277   0.460297
     3  C   -0.028112   0.102112   5.984874  -0.339929  -0.102934   0.020339
     4  C    0.016024   0.034412  -0.339929   5.477674   0.331196  -0.081694
     5  O    0.007513  -0.053277  -0.102934   0.331196   8.005176   0.010861
     6  C   -0.038819   0.460297   0.020339  -0.081694   0.010861   4.163097
     7  N    0.023164   0.107497  -0.398775   0.285834  -0.016405  -0.038583
     8  O    0.002712  -0.040040   0.003541   0.500661  -0.043937   0.000529
     9  H   -0.082372  -0.063226   0.426164  -0.270668  -0.042999   0.037937
    10  H   -0.075077   0.344892  -0.090636   0.018005  -0.056516  -0.011320
    11  H   -0.000788   0.004836  -0.006271   0.094467   0.196396  -0.003757
    12  H   -0.005691  -0.078689   0.309751  -0.130780   0.001879   0.009074
    13  H   -0.024335  -0.086475   0.188490  -0.017991   0.003478   0.004792
    14  H   -0.016937   0.143238  -0.023410  -0.016555   0.000155   0.215254
    15  H    0.011509   0.060147  -0.063903   0.009044  -0.000784   0.309563
    16  H   -0.013581   0.073729   0.043935  -0.001118   0.003990   0.161412
    17  H    0.419315  -0.040580  -0.016853   0.003711   0.003077   0.007710
    18  H    0.084106   0.189142  -0.062675   0.009472  -0.002202  -0.030782
    19  H    0.188191   0.131528   0.029988  -0.006140  -0.000054  -0.020467
               7          8          9         10         11         12
     1  C    0.023164   0.002712  -0.082372  -0.075077  -0.000788  -0.005691
     2  C    0.107497  -0.040040  -0.063226   0.344892   0.004836  -0.078689
     3  C   -0.398775   0.003541   0.426164  -0.090636  -0.006271   0.309751
     4  C    0.285834   0.500661  -0.270668   0.018005   0.094467  -0.130780
     5  O   -0.016405  -0.043937  -0.042999  -0.056516   0.196396   0.001879
     6  C   -0.038583   0.000529   0.037937  -0.011320  -0.003757   0.009074
     7  N    8.407753  -0.224461  -0.410048   0.018172   0.011245  -0.411976
     8  O   -0.224461   7.936928   0.048551  -0.005199  -0.045631   0.074663
     9  H   -0.410048   0.048551   1.291723   0.008993  -0.008563   0.047033
    10  H    0.018172  -0.005199   0.008993   0.995499   0.005391  -0.004521
    11  H    0.011245  -0.045631  -0.008563   0.005391   0.508700  -0.000977
    12  H   -0.411976   0.074663   0.047033  -0.004521  -0.000977   1.055420
    13  H   -0.535175   0.045642   0.154000  -0.004673  -0.000871   0.088827
    14  H    0.005338  -0.018175  -0.007411  -0.005787   0.000364   0.014437
    15  H   -0.006510  -0.008731   0.007704  -0.017251  -0.001900  -0.007968
    16  H    0.003403   0.004390  -0.003475   0.023859  -0.000337  -0.000426
    17  H    0.011829  -0.000220  -0.048330  -0.022421   0.000055   0.000357
    18  H    0.010206  -0.000141   0.010853   0.013850   0.000044  -0.005616
    19  H   -0.007996   0.000956   0.014840   0.011155  -0.000101   0.001274
              13         14         15         16         17         18
     1  C   -0.024335  -0.016937   0.011509  -0.013581   0.419315   0.084106
     2  C   -0.086475   0.143238   0.060147   0.073729  -0.040580   0.189142
     3  C    0.188490  -0.023410  -0.063903   0.043935  -0.016853  -0.062675
     4  C   -0.017991  -0.016555   0.009044  -0.001118   0.003711   0.009472
     5  O    0.003478   0.000155  -0.000784   0.003990   0.003077  -0.002202
     6  C    0.004792   0.215254   0.309563   0.161412   0.007710  -0.030782
     7  N   -0.535175   0.005338  -0.006510   0.003403   0.011829   0.010206
     8  O    0.045642  -0.018175  -0.008731   0.004390  -0.000220  -0.000141
     9  H    0.154000  -0.007411   0.007704  -0.003475  -0.048330   0.010853
    10  H   -0.004673  -0.005787  -0.017251   0.023859  -0.022421   0.013850
    11  H   -0.000871   0.000364  -0.001900  -0.000337   0.000055   0.000044
    12  H    0.088827   0.014437  -0.007968  -0.000426   0.000357  -0.005616
    13  H    1.181422  -0.000987   0.004571  -0.001475  -0.010434   0.025864
    14  H   -0.000987   0.749689  -0.015953  -0.046968  -0.002625   0.019560
    15  H    0.004571  -0.015953   0.892466  -0.131273  -0.004128  -0.001242
    16  H   -0.001475  -0.046968  -0.131273   0.886243   0.012649  -0.033121
    17  H   -0.010434  -0.002625  -0.004128   0.012649   0.872992  -0.099154
    18  H    0.025864   0.019560  -0.001242  -0.033121  -0.099154   0.976757
    19  H    0.001247  -0.019214   0.006135   0.010618  -0.123133  -0.051724
              19
     1  C    0.188191
     2  C    0.131528
     3  C    0.029988
     4  C   -0.006140
     5  O   -0.000054
     6  C   -0.020467
     7  N   -0.007996
     8  O    0.000956
     9  H    0.014840
    10  H    0.011155
    11  H   -0.000101
    12  H    0.001274
    13  H    0.001247
    14  H   -0.019214
    15  H    0.006135
    16  H    0.010618
    17  H   -0.123133
    18  H   -0.051724
    19  H    0.849913
 Mulliken charges:
               1
     1  C    0.874464
     2  C   -1.473126
     3  C    0.024303
     4  C    0.084375
     5  O   -0.244614
     6  C    0.824558
     7  N    0.165486
     8  O   -0.232039
     9  H   -0.110706
    10  H   -0.146415
    11  H    0.247698
    12  H    0.043927
    13  H   -0.015915
    14  H    0.025985
    15  H   -0.041496
    16  H    0.007545
    17  H    0.036182
    18  H   -0.053196
    19  H   -0.017015
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.840435
     2  C   -1.619542
     3  C   -0.086403
     4  C    0.084375
     5  O    0.003084
     6  C    0.816593
     7  N    0.193498
     8  O   -0.232039
 Electronic spatial extent (au):  <R**2>=           1044.4092
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.7134    Y=             -1.7903    Z=             -0.1460  Tot=              2.4824
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.3534   YY=            -51.1012   ZZ=            -51.8715
   XY=              6.0112   XZ=              1.6941   YZ=              0.4964
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.7553   YY=             -0.9925   ZZ=             -1.7628
   XY=              6.0112   XZ=              1.6941   YZ=              0.4964
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -21.5385  YYY=             -6.5404  ZZZ=             -2.2478  XYY=             -1.8646
  XXY=            -14.7764  XXZ=             -7.1986  XZZ=              0.6223  YZZ=             -0.2782
  YYZ=              8.2754  XYZ=              1.5766
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -732.3950 YYYY=           -317.2914 ZZZZ=           -267.9318 XXXY=             55.0634
 XXXZ=             21.8343 YYYX=             28.0021 YYYZ=             20.0766 ZZZX=             -2.7684
 ZZZY=              4.5267 XXYY=           -155.1257 XXZZ=           -184.6778 YYZZ=           -100.9288
 XXYZ=             -4.7437 YYXZ=             -2.4327 ZZXY=              1.3231
 N-N= 4.086814012426D+02 E-N=-1.753308132421D+03  KE= 3.973314327204D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:57:14 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.04591913D-01-6.48839473D-01-5.52847422D-02
 Polarizability= 8.22684465D+01 7.08672778D-01 7.16520698D+01
                -2.79312531D+00 2.52988296D+00 6.99314743D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2296    1.2317       -0.1266   -0.1285
 2     -1.2296   -1.2317       -1.0196   -1.0240       -5.1687   -5.1688
 3      0.1266    0.1285        6.0443    6.0548        1.0280    1.0240
 4      1.0196    1.0240       -0.0000    0.0000        0.1308    0.1285
 5     -0.8755   -0.8861       -0.1308   -0.1285        1.2327    1.2317
 6     -1.0280   -1.0240       -1.2327   -1.2317       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.6952   -3.6952       -0.3854   -0.3854
 2      3.0719    3.0719        0.0000    0.0000       -0.3854   -0.3854
 3      3.0719    3.0719       -3.6952   -3.6952       -0.0000    0.0000
 4     -3.6952   -3.6952       -3.0719   -3.0719      -15.5063  -15.5063
 5      0.3854    0.3854       18.1645   18.1645        3.0719    3.0719
 6     -2.6582   -2.6582       -0.3854   -0.3854        3.6952    3.6952
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2062    0.0000       -5.2044   -4.9269        0.5691    0.5139
 2      5.1263    4.9269        3.9364    4.0959       21.0899   20.6750
 3     -0.4430   -0.5139      -24.0532  -24.2193       -4.3493   -4.0959
 4     -3.6691   -4.0959       -0.0831    0.0000       -0.7204   -0.5139
 5      3.2876    3.5442        0.2887    0.5139       -4.9905   -4.9269
 6      4.3400    4.0959        5.0038    4.9269        0.0585    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2211    0.0000        5.8136    5.7576       -6.6680   -6.6615
 2     -5.2624   -5.7576        4.6304    3.8330        8.4529    9.1013
 3      6.2085    6.6615       19.9251   19.6077       -4.0286   -3.8330
 4     -4.3863   -3.8330       -0.1340    0.0000        6.5578    6.6615
 5    -29.0563  -28.7089       -6.7381   -6.6615        5.8098    5.7576
 6      4.2398    3.8330       -5.6828   -5.7576        0.2076    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.4427   -6.5676       16.4393   16.6878        8.1983    8.1983
 2    -13.3386  -12.7841       21.6874   22.0065        7.7853    8.1983
 3    -13.5253  -12.7841       16.3323   16.6878       10.0258   10.5390
 4     -5.5104   -5.3187        6.7979    6.2165       21.5432   22.1912
 5      1.9003    2.3407       35.3120   34.6292       -6.3913   -6.2165
 6    -57.1829  -56.8203       -2.0654   -2.3407        5.6413    5.3187
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0005    0.0007    0.0008    3.6031    6.8614    7.4295
 Low frequencies ---   55.9674   84.3057  177.0238
 Diagonal vibrational polarizability:
       22.7649292      24.8036039      20.1728203
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     55.9657                84.3054               177.0235
 Red. masses --      4.2165                 3.7206                 3.2649
 Frc consts  --      0.0078                 0.0156                 0.0603
 IR Inten    --      0.9726                 0.7299                 1.1156
 RamAct Fr= 1--      0.7218                 0.4633                 0.4283
  Dep-P Fr= 1--      0.7498                 0.7493                 0.6850
  Dep-U Fr= 1--      0.8570                 0.8567                 0.8130
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0005
 Beta2  Fr= 1--      0.1031                 0.0662                 0.0580
 AlphaG Fr= 1--      0.0001                -0.0001                 0.0014
 Gamma2 Fr= 1--     -0.1492                 0.2350                 0.1847
 Delta2 Fr= 1--     -0.1660                 0.2722                 0.0846
 Raman1 Fr= 1--       2.887                  1.853                  1.713
 ROA1   Fr= 1--     -19.637                 31.270                 20.436
 CID1   Fr= 1--      -6.801                 16.872                 11.930
 Raman2 Fr= 1--       1.237                  0.794                  0.696
 ROA2   Fr= 1--      -2.254                  3.462                  3.756
 CID2   Fr= 1--      -1.821                  4.361                  5.394
 Raman3 Fr= 1--       2.474                  1.588                  1.393
 ROA3   Fr= 1--     -19.637                 31.270                 20.436
 CID3   Fr= 1--      -7.936                 19.695                 14.673
 RC180  Fr= 1--       0.714                  0.713                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.13   0.03    -0.06  -0.15  -0.14    -0.04  -0.13   0.01
     2   6     0.00  -0.01  -0.09    -0.02   0.00   0.02    -0.10   0.04  -0.06
     3   6    -0.00   0.02  -0.02     0.00   0.05   0.08    -0.01   0.13  -0.07
     4   6     0.00   0.04   0.02    -0.02   0.01  -0.03     0.06   0.02  -0.00
     5   8     0.10  -0.13   0.24     0.13  -0.08   0.03     0.18  -0.05   0.04
     6   6    -0.09  -0.23  -0.08     0.13   0.09   0.01    -0.20   0.02  -0.05
     7   7     0.03   0.01  -0.00     0.01   0.02   0.21    -0.01   0.12  -0.01
     8   8    -0.08   0.19  -0.13    -0.17   0.06  -0.16     0.08  -0.10   0.09
     9   1    -0.05   0.03  -0.02     0.03   0.14   0.07    -0.02   0.18  -0.07
    10   1     0.06   0.02  -0.25    -0.12   0.01   0.11    -0.20   0.08  -0.07
    11   1     0.09  -0.09   0.24     0.09  -0.09  -0.07     0.26  -0.20   0.13
    12   1    -0.06   0.03  -0.04    -0.12  -0.03   0.17     0.17   0.05   0.08
    13   1     0.05  -0.03   0.09     0.03  -0.01   0.37    -0.02   0.15  -0.17
    14   1    -0.24  -0.24   0.08     0.35   0.06  -0.09     0.03  -0.05  -0.03
    15   1    -0.09  -0.41  -0.18     0.12   0.30   0.10    -0.30   0.27  -0.12
    16   1    -0.03  -0.19  -0.14     0.03  -0.03  -0.01    -0.41  -0.17   0.01
    17   1     0.09   0.35   0.02    -0.17  -0.30  -0.13     0.02  -0.23   0.01
    18   1     0.01   0.08   0.25     0.01  -0.12  -0.33     0.03  -0.14  -0.05
    19   1     0.02   0.07  -0.08    -0.06  -0.13  -0.11    -0.13  -0.18   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    216.1581               221.7042               246.4993
 Red. masses --      1.1650                 1.1832                 1.0428
 Frc consts  --      0.0321                 0.0343                 0.0373
 IR Inten    --     17.5011                16.6063                 4.8632
 RamAct Fr= 1--      0.1478                 0.1617                 0.0821
  Dep-P Fr= 1--      0.2726                 0.3382                 0.6784
  Dep-U Fr= 1--      0.4284                 0.5055                 0.8084
 Alpha2 Fr= 1--      0.0016                 0.0015                 0.0001
 Beta2  Fr= 1--      0.0106                 0.0136                 0.0111
 AlphaG Fr= 1--     -0.0033                 0.0005                 0.0005
 Gamma2 Fr= 1--      0.1000                 0.0170                 0.0375
 Delta2 Fr= 1--      0.0131                -0.0096                -0.0327
 Raman1 Fr= 1--       0.591                  0.647                  0.328
 ROA1   Fr= 1--      10.018                  1.319                  2.559
 CID1   Fr= 1--      16.940                  2.039                  7.791
 Raman2 Fr= 1--       0.127                  0.164                  0.133
 ROA2   Fr= 1--       2.295                  0.484                  1.163
 CID2   Fr= 1--      18.113                  2.960                  8.757
 Raman3 Fr= 1--       0.253                  0.327                  0.266
 ROA3   Fr= 1--      10.018                  1.319                  2.559
 CID3   Fr= 1--      39.538                  4.034                  9.638
 RC180  Fr= 1--      -0.143                  0.011                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.02     0.02   0.04   0.01     0.01   0.00   0.02
     2   6    -0.01   0.00  -0.01     0.01   0.00  -0.03    -0.01   0.01   0.00
     3   6     0.00   0.01  -0.02     0.01  -0.02  -0.03    -0.01  -0.00  -0.01
     4   6     0.02  -0.00  -0.01     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     5   8     0.01  -0.00   0.00    -0.05  -0.00   0.02    -0.01  -0.01  -0.00
     6   6    -0.05   0.06  -0.01    -0.03   0.00  -0.02     0.02   0.02   0.00
     7   7     0.03  -0.00   0.02    -0.00  -0.03   0.02     0.00   0.00  -0.03
     8   8     0.04  -0.01   0.02     0.05   0.02   0.00     0.00  -0.01   0.01
     9   1    -0.00   0.01  -0.02     0.00  -0.01  -0.04    -0.01  -0.03  -0.01
    10   1    -0.02  -0.00   0.01     0.04  -0.01  -0.03    -0.01   0.01   0.00
    11   1     0.02  -0.01   0.03    -0.04   0.03   0.05    -0.01  -0.01   0.01
    12   1    -0.39   0.03  -0.15    -0.37  -0.02  -0.13    -0.20   0.04  -0.12
    13   1     0.08  -0.11   0.50     0.04  -0.10   0.45     0.03  -0.07   0.21
    14   1    -0.45   0.18  -0.03     0.25  -0.08  -0.02     0.31  -0.05  -0.03
    15   1     0.03  -0.30  -0.03    -0.12   0.29  -0.05    -0.04   0.30   0.03
    16   1     0.21   0.35   0.02    -0.25  -0.21   0.01    -0.17  -0.18   0.01
    17   1    -0.04   0.04  -0.02     0.12  -0.26   0.02    -0.07   0.45   0.00
    18   1     0.07  -0.09   0.04    -0.14   0.17  -0.22     0.21  -0.18   0.40
    19   1    -0.06  -0.12  -0.09     0.11   0.24   0.27    -0.11  -0.27  -0.32
                      7                      8                      9
                      A                      A                      A
 Frequencies --    277.7104               296.1279               345.7699
 Red. masses --      2.3911                 3.2290                 3.6382
 Frc consts  --      0.1087                 0.1668                 0.2563
 IR Inten    --      4.8778                 0.9278                 0.2552
 RamAct Fr= 1--      0.3298                 0.4901                 0.8593
  Dep-P Fr= 1--      0.2346                 0.3475                 0.4283
  Dep-U Fr= 1--      0.3801                 0.5158                 0.5997
 Alpha2 Fr= 1--      0.0041                 0.0043                 0.0057
 Beta2  Fr= 1--      0.0209                 0.0421                 0.0859
 AlphaG Fr= 1--     -0.0038                -0.0004                 0.0014
 Gamma2 Fr= 1--     -0.2275                 0.1107                -0.0187
 Delta2 Fr= 1--      0.0085                 0.0752                -0.0764
 Raman1 Fr= 1--       1.319                  1.961                  3.437
 ROA1   Fr= 1--     -21.566                 13.031                 -4.238
 CID1   Fr= 1--     -16.350                  6.647                 -1.233
 Raman2 Fr= 1--       0.251                  0.506                  1.031
 ROA2   Fr= 1--      -5.528                  2.055                  0.163
 CID2   Fr= 1--     -22.054                  4.065                  0.158
 Raman3 Fr= 1--       0.501                  1.011                  2.061
 ROA3   Fr= 1--     -21.566                 13.031                 -4.238
 CID3   Fr= 1--     -43.017                 12.886                 -2.056
 RC180  Fr= 1--      -0.240                  0.032                  0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03   0.01    -0.17   0.16  -0.08    -0.18   0.06  -0.10
     2   6     0.02  -0.02  -0.08    -0.06  -0.03   0.04    -0.03  -0.03   0.12
     3   6     0.00  -0.04  -0.04    -0.01  -0.04   0.03     0.05  -0.03  -0.01
     4   6    -0.01  -0.03  -0.03    -0.01   0.01   0.03     0.10  -0.01  -0.10
     5   8    -0.09  -0.04   0.04     0.08   0.00  -0.03     0.02  -0.03  -0.01
     6   6    -0.09   0.16  -0.08    -0.08   0.03   0.05    -0.05  -0.05   0.14
     7   7     0.05  -0.10   0.18     0.28  -0.07  -0.05    -0.14  -0.03   0.06
     8   8     0.04   0.02  -0.03    -0.07  -0.06   0.04     0.24   0.10  -0.08
     9   1    -0.01   0.11  -0.06    -0.05  -0.10   0.04     0.23  -0.01  -0.01
    10   1     0.08  -0.06  -0.03     0.01  -0.05   0.06    -0.04  -0.03   0.14
    11   1    -0.09   0.04   0.08     0.09  -0.09  -0.07     0.03   0.03   0.05
    12   1     0.45  -0.29   0.38     0.24   0.09  -0.10    -0.05  -0.17   0.13
    13   1     0.02  -0.04  -0.23     0.36  -0.33   0.07    -0.20   0.18  -0.10
    14   1    -0.11   0.21  -0.21     0.00   0.02   0.01    -0.03  -0.07   0.18
    15   1    -0.13   0.24  -0.12    -0.11   0.14   0.03    -0.07  -0.04   0.10
    16   1    -0.13   0.21   0.09    -0.15  -0.02   0.10    -0.09  -0.09   0.13
    17   1     0.11   0.20   0.00    -0.30   0.14  -0.07    -0.49   0.18  -0.09
    18   1     0.06  -0.02   0.18    -0.29   0.22  -0.14    -0.18   0.06  -0.11
    19   1     0.02  -0.03  -0.06     0.01   0.30  -0.17    -0.03   0.07  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.8302               447.5626               579.5146
 Red. masses --      2.4333                 3.9923                 1.6063
 Frc consts  --      0.2269                 0.4712                 0.3178
 IR Inten    --      1.1885                 7.8298                62.4659
 RamAct Fr= 1--      0.7719                 1.4746                 0.9777
  Dep-P Fr= 1--      0.3269                 0.2397                 0.3507
  Dep-U Fr= 1--      0.4927                 0.3868                 0.5192
 Alpha2 Fr= 1--      0.0073                 0.0180                 0.0086
 Beta2  Fr= 1--      0.0634                 0.0951                 0.0846
 AlphaG Fr= 1--     -0.0078                 0.0018                -0.0170
 Gamma2 Fr= 1--      0.2598                 0.0049                -0.4545
 Delta2 Fr= 1--      0.0069                -0.0609                -0.0498
 Raman1 Fr= 1--       3.088                  5.898                  3.911
 ROA1   Fr= 1--      25.161                 -1.473                -45.227
 CID1   Fr= 1--       8.148                 -0.250                -11.564
 Raman2 Fr= 1--       0.761                  1.141                  1.015
 ROA2   Fr= 1--       6.180                  0.606                -10.510
 CID2   Fr= 1--       8.125                  0.531                -10.351
 Raman3 Fr= 1--       1.521                  2.281                  2.031
 ROA3   Fr= 1--      25.161                 -1.473                -45.227
 CID3   Fr= 1--      16.539                 -0.646                -22.272
 RC180  Fr= 1--      -0.015                 -0.226                  0.038
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.02   0.16    -0.05   0.01   0.06    -0.05  -0.00   0.02
     2   6    -0.16  -0.03  -0.02    -0.04  -0.18  -0.07    -0.02  -0.06  -0.02
     3   6    -0.06   0.05  -0.08    -0.03  -0.12   0.03     0.06   0.03   0.07
     4   6    -0.02   0.02  -0.10     0.04   0.06   0.13     0.08  -0.08   0.04
     5   8    -0.01  -0.05   0.00     0.23   0.13  -0.06    -0.02  -0.05   0.04
     6   6     0.15  -0.00  -0.04     0.00   0.04  -0.11    -0.01   0.01  -0.05
     7   7     0.05   0.01   0.02    -0.14  -0.15  -0.00     0.02   0.09  -0.01
     8   8     0.08  -0.01  -0.01    -0.01   0.12   0.06     0.01  -0.03  -0.04
     9   1     0.03   0.09  -0.09    -0.18  -0.15   0.03     0.03   0.05   0.07
    10   1    -0.17  -0.02  -0.01    -0.02  -0.18  -0.06    -0.09  -0.03  -0.06
    11   1     0.09  -0.13   0.18     0.14  -0.05  -0.37    -0.45   0.58  -0.49
    12   1     0.08  -0.05   0.05    -0.23  -0.13  -0.05    -0.04   0.20  -0.06
    13   1     0.08  -0.08   0.05    -0.21   0.07  -0.05     0.00   0.14  -0.03
    14   1     0.22   0.02  -0.16     0.03   0.13  -0.38    -0.01   0.05  -0.18
    15   1     0.33  -0.06   0.28     0.02   0.19   0.01    -0.00   0.07  -0.01
    16   1     0.34   0.07  -0.28     0.02   0.13   0.03     0.01   0.06   0.02
    17   1     0.10   0.04   0.15     0.10   0.13   0.05    -0.02   0.05   0.02
    18   1    -0.25   0.04   0.26    -0.26   0.04   0.23    -0.17   0.02   0.08
    19   1    -0.13   0.08   0.31     0.04   0.11   0.08     0.01   0.07   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    595.4457               661.8544               713.3014
 Red. masses --      1.9263                 2.9959                 3.2490
 Frc consts  --      0.4024                 0.7732                 0.9740
 IR Inten    --     31.9309                23.4973                24.9446
 RamAct Fr= 1--      2.0856                 1.9052                12.4915
  Dep-P Fr= 1--      0.3921                 0.4165                 0.0312
  Dep-U Fr= 1--      0.5634                 0.5881                 0.0605
 Alpha2 Fr= 1--      0.0159                 0.0133                 0.2580
 Beta2  Fr= 1--      0.1958                 0.1867                 0.1260
 AlphaG Fr= 1--     -0.0308                -0.0294                 0.1035
 Gamma2 Fr= 1--     -0.2099                -0.4513                -0.2326
 Delta2 Fr= 1--      0.4260                -0.0204                -0.0103
 Raman1 Fr= 1--       8.342                  7.621                 49.966
 ROA1   Fr= 1--      -6.518                -43.978                -22.660
 CID1   Fr= 1--      -0.781                 -5.771                 -0.454
 Raman2 Fr= 1--       2.350                  2.241                  1.511
 ROA2   Fr= 1--      -8.445                -10.668                 -5.500
 CID2   Fr= 1--      -3.594                 -4.760                 -3.639
 Raman3 Fr= 1--       4.700                  4.482                  3.023
 ROA3   Fr= 1--      -6.518                -43.978                -22.660
 CID3   Fr= 1--      -1.387                 -9.812                 -7.496
 RC180  Fr= 1--       0.127                  0.176                 -0.879
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01     0.01  -0.00  -0.00    -0.11   0.01   0.05
     2   6    -0.05   0.18  -0.01     0.01  -0.04  -0.01    -0.05   0.17  -0.02
     3   6    -0.09  -0.03  -0.01    -0.05   0.00   0.20     0.10  -0.05   0.10
     4   6    -0.01  -0.06   0.06    -0.04  -0.12   0.08     0.20  -0.11   0.11
     5   8     0.05  -0.06  -0.04    -0.06  -0.11  -0.15    -0.04   0.12   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.00  -0.06    -0.02   0.03  -0.11
     7   7     0.01  -0.06   0.00     0.03   0.11  -0.01     0.01  -0.10   0.01
     8   8     0.06   0.08   0.02     0.09   0.14  -0.00    -0.03  -0.05  -0.12
     9   1    -0.18  -0.05  -0.01    -0.11   0.01   0.20    -0.03  -0.13   0.10
    10   1     0.03   0.14   0.04    -0.03  -0.01  -0.09    -0.06   0.17  -0.03
    11   1    -0.26   0.15  -0.59     0.24  -0.66   0.16     0.26  -0.01   0.59
    12   1     0.14  -0.13   0.07     0.01   0.42  -0.09    -0.09   0.07  -0.08
    13   1     0.08  -0.28   0.03     0.07  -0.02  -0.06    -0.07   0.10  -0.15
    14   1     0.04  -0.09   0.25    -0.05   0.05  -0.18     0.02  -0.05   0.07
    15   1     0.04  -0.12   0.01    -0.05   0.08  -0.08     0.02  -0.08  -0.09
    16   1     0.01  -0.10  -0.23    -0.03   0.06   0.10    -0.00  -0.07  -0.32
    17   1     0.03  -0.12   0.01     0.06   0.00  -0.00    -0.08  -0.10   0.05
    18   1     0.23  -0.06  -0.08    -0.03   0.00   0.03     0.07  -0.05  -0.01
    19   1    -0.19  -0.14   0.11     0.03   0.02   0.03    -0.29  -0.12   0.15
                     16                     17                     18
                      A                      A                      A
 Frequencies --    801.6191               859.5473               869.5482
 Red. masses --      1.8428                 2.3774                 2.8724
 Frc consts  --      0.6977                 1.0349                 1.2796
 IR Inten    --    181.7253                50.3793                 3.5335
 RamAct Fr= 1--      0.1863                 8.2150                 3.2377
  Dep-P Fr= 1--      0.4404                 0.0940                 0.2396
  Dep-U Fr= 1--      0.6115                 0.1719                 0.3866
 Alpha2 Fr= 1--      0.0012                 0.1459                 0.0395
 Beta2  Fr= 1--      0.0190                 0.2354                 0.2086
 AlphaG Fr= 1--      0.0011                -0.0071                -0.0025
 Gamma2 Fr= 1--      0.2770                -0.2730                 0.3642
 Delta2 Fr= 1--     -0.0182                -0.4451                 0.7554
 Raman1 Fr= 1--       0.745                 32.860                 12.951
 ROA1   Fr= 1--      26.010                -40.449                 59.131
 CID1   Fr= 1--      34.902                 -1.231                  4.566
 Raman2 Fr= 1--       0.228                  2.825                  2.504
 ROA2   Fr= 1--       6.793                 -2.990                  2.697
 CID2   Fr= 1--      29.813                 -1.059                  1.077
 Raman3 Fr= 1--       0.456                  5.649                  5.007
 ROA3   Fr= 1--      26.010                -40.449                 59.131
 CID3   Fr= 1--      57.077                 -7.160                 11.809
 RC180  Fr= 1--       0.223                 -0.656                 -0.227
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.09  -0.00  -0.07    -0.07  -0.04   0.05
     2   6     0.00  -0.05  -0.02    -0.08  -0.04  -0.08     0.05   0.03   0.00
     3   6    -0.04  -0.01  -0.06    -0.09   0.08  -0.11     0.20   0.01  -0.20
     4   6     0.10  -0.09   0.10     0.08  -0.08   0.09    -0.02  -0.06   0.15
     5   8    -0.01   0.05  -0.01    -0.01   0.02  -0.02    -0.05  -0.07  -0.06
     6   6    -0.00  -0.00   0.05    -0.02  -0.00   0.18     0.00   0.03  -0.02
     7   7    -0.06   0.13  -0.05     0.06  -0.07   0.06     0.05   0.03   0.02
     8   8    -0.02   0.01  -0.05    -0.01   0.01  -0.04    -0.08   0.08   0.08
     9   1    -0.18  -0.00  -0.06    -0.33   0.15  -0.12     0.14   0.02  -0.20
    10   1    -0.02  -0.06   0.02    -0.11  -0.03  -0.05    -0.02   0.01   0.13
    11   1     0.08  -0.01   0.15     0.02   0.03   0.06    -0.02  -0.35  -0.19
    12   1     0.38  -0.46   0.30    -0.27   0.34  -0.20    -0.12  -0.29   0.02
    13   1     0.16  -0.45   0.38    -0.09   0.30  -0.30    -0.10   0.52   0.04
    14   1     0.01   0.01   0.02     0.06   0.00   0.10     0.03  -0.05   0.17
    15   1     0.02   0.01   0.10     0.07   0.01   0.38     0.01  -0.10  -0.06
    16   1     0.02   0.03   0.08     0.05   0.01   0.07    -0.02  -0.07  -0.17
    17   1     0.02   0.06  -0.01     0.27   0.09  -0.09    -0.23   0.05   0.06
    18   1    -0.09   0.02   0.03    -0.06   0.01   0.07    -0.23   0.02   0.04
    19   1     0.09   0.06  -0.03     0.13   0.07  -0.01     0.09   0.06  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.1728               957.8676               973.5137
 Red. masses --      1.1992                 2.1984                 1.4825
 Frc consts  --      0.6219                 1.1884                 0.8278
 IR Inten    --      0.7586                 9.7476                 0.0542
 RamAct Fr= 1--      0.6667                 6.4184                 2.2610
  Dep-P Fr= 1--      0.4825                 0.7366                 0.7278
  Dep-U Fr= 1--      0.6509                 0.8483                 0.8425
 Alpha2 Fr= 1--      0.0036                 0.0015                 0.0009
 Beta2  Fr= 1--      0.0723                 0.9075                 0.3175
 AlphaG Fr= 1--     -0.0017                 0.0016                -0.0018
 Gamma2 Fr= 1--      0.3378                -1.4328                 0.3289
 Delta2 Fr= 1--      0.2392                -0.4398                 0.0675
 Raman1 Fr= 1--       2.667                 25.673                  9.044
 ROA1   Fr= 1--      40.079               -151.620                 33.737
 CID1   Fr= 1--      15.030                 -5.906                  3.730
 Raman2 Fr= 1--       0.868                 10.890                  3.810
 ROA2   Fr= 1--       6.193                -30.868                  7.355
 CID2   Fr= 1--       7.136                 -2.835                  1.931
 Raman3 Fr= 1--       1.736                 21.779                  7.619
 ROA3   Fr= 1--      40.079               -151.620                 33.737
 CID3   Fr= 1--      23.091                 -6.962                  4.428
 RC180  Fr= 1--       0.302                  0.697                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.07   0.01  -0.12    -0.12   0.04  -0.02
     2   6     0.04  -0.00  -0.02    -0.15   0.03  -0.05     0.04   0.02  -0.09
     3   6    -0.03  -0.00   0.02     0.17  -0.07   0.10     0.04   0.00  -0.02
     4   6    -0.00   0.01  -0.02    -0.04   0.04  -0.02    -0.00   0.00   0.01
     5   8     0.00   0.00   0.00    -0.01  -0.03  -0.00    -0.01  -0.01  -0.00
     6   6     0.06   0.06  -0.00    -0.06   0.02   0.06     0.07  -0.05   0.09
     7   7    -0.00  -0.00   0.00    -0.02   0.01  -0.04     0.00  -0.00  -0.01
     8   8     0.01  -0.01  -0.01    -0.01   0.00   0.03    -0.01   0.01   0.01
     9   1    -0.07   0.01   0.02     0.30  -0.11   0.11     0.05  -0.00  -0.02
    10   1    -0.13  -0.05   0.32    -0.36   0.10  -0.07     0.12   0.05  -0.28
    11   1     0.00   0.03   0.02    -0.01  -0.08  -0.04    -0.01  -0.03  -0.02
    12   1    -0.00   0.06  -0.01     0.08  -0.25   0.08    -0.00  -0.09   0.01
    13   1     0.01  -0.04  -0.01    -0.01   0.03   0.15    -0.01   0.05   0.02
    14   1    -0.10  -0.06   0.46     0.07  -0.01   0.02    -0.14   0.08  -0.10
    15   1    -0.10  -0.15  -0.43     0.08  -0.01   0.33    -0.09   0.15  -0.14
    16   1    -0.14  -0.15   0.03     0.06   0.02  -0.18    -0.03   0.09   0.56
    17   1     0.32   0.17  -0.06     0.52   0.14  -0.15     0.23  -0.11  -0.03
    18   1    -0.34  -0.03   0.29    -0.07  -0.01   0.15     0.14  -0.09   0.08
    19   1     0.04   0.11   0.13    -0.01   0.07   0.15    -0.47  -0.17   0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1052.0243              1124.7188              1137.4624
 Red. masses --      1.7242                 2.3281                 2.8156
 Frc consts  --      1.1243                 1.7352                 2.1463
 IR Inten    --      8.3746                 6.7812               260.5224
 RamAct Fr= 1--      3.3940                 7.2854                 1.6501
  Dep-P Fr= 1--      0.5364                 0.5721                 0.4368
  Dep-U Fr= 1--      0.6982                 0.7278                 0.6081
 Alpha2 Fr= 1--      0.0140                 0.0244                 0.0107
 Beta2  Fr= 1--      0.3950                 0.8837                 0.1672
 AlphaG Fr= 1--      0.0073                -0.0106                -0.0198
 Gamma2 Fr= 1--      0.3227                 0.8533                 0.3018
 Delta2 Fr= 1--      0.0618                 0.5281                -0.1795
 Raman1 Fr= 1--      13.576                 29.142                  6.601
 ROA1   Fr= 1--      32.955                 98.817                 23.231
 CID1   Fr= 1--       2.427                  3.391                  3.519
 Raman2 Fr= 1--       4.740                 10.604                  2.007
 ROA2   Fr= 1--       7.250                 16.255                  8.679
 CID2   Fr= 1--       1.530                  1.533                  4.325
 Raman3 Fr= 1--       9.479                 21.209                  4.014
 ROA3   Fr= 1--      32.955                 98.817                 23.231
 CID3   Fr= 1--       3.477                  4.659                  5.788
 RC180  Fr= 1--       0.396                  0.456                  0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.02     0.06   0.07  -0.08    -0.01  -0.06   0.02
     2   6     0.01   0.09   0.02    -0.12  -0.01   0.22     0.01   0.08  -0.05
     3   6     0.01   0.15   0.02    -0.05   0.02  -0.09    -0.00  -0.11  -0.02
     4   6     0.01  -0.00   0.02     0.01  -0.07   0.05    -0.14  -0.18  -0.04
     5   8    -0.01  -0.02  -0.01     0.00   0.04   0.01     0.03   0.18   0.13
     6   6     0.04  -0.06  -0.01     0.05  -0.07  -0.11     0.00  -0.02   0.03
     7   7    -0.02  -0.13  -0.04     0.03   0.02   0.02     0.01   0.06   0.03
     8   8    -0.01   0.01   0.01    -0.01   0.01  -0.01     0.05  -0.03  -0.06
     9   1     0.14   0.06   0.03     0.34  -0.21  -0.05     0.32   0.12  -0.05
    10   1    -0.45   0.30  -0.22    -0.20  -0.05   0.41     0.01   0.10  -0.15
    11   1    -0.01   0.00   0.00    -0.00  -0.08  -0.08    -0.01  -0.56  -0.45
    12   1     0.04  -0.12  -0.01    -0.05  -0.07   0.01     0.01   0.25  -0.02
    13   1     0.02  -0.29   0.00    -0.02   0.14  -0.04     0.04  -0.03  -0.07
    14   1    -0.10   0.06  -0.20    -0.15   0.05  -0.28    -0.03   0.02  -0.05
    15   1    -0.06   0.13  -0.11    -0.08   0.09  -0.29    -0.00   0.06   0.06
    16   1     0.01   0.10   0.33    -0.05   0.01   0.22     0.03   0.04   0.08
    17   1    -0.12   0.13   0.02     0.33  -0.01  -0.09    -0.08   0.09   0.01
    18   1    -0.27   0.05   0.04     0.25  -0.03   0.01    -0.22   0.02   0.04
    19   1     0.33   0.17  -0.14    -0.11  -0.03   0.12     0.16   0.08  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1168.6297              1199.7763              1239.8922
 Red. masses --      1.4293                 1.9225                 1.8982
 Frc consts  --      1.1500                 1.6305                 1.7194
 IR Inten    --      5.0577                 5.2905                21.6030
 RamAct Fr= 1--      3.5256                 1.8733                 2.5907
  Dep-P Fr= 1--      0.4995                 0.6115                 0.7071
  Dep-U Fr= 1--      0.6662                 0.7589                 0.8284
 Alpha2 Fr= 1--      0.0175                 0.0048                 0.0019
 Beta2  Fr= 1--      0.3915                 0.2369                 0.3577
 AlphaG Fr= 1--     -0.0640                 0.0001                -0.0039
 Gamma2 Fr= 1--     -0.7788                -0.7441                 0.1920
 Delta2 Fr= 1--      0.4809                -0.1031                 0.0291
 Raman1 Fr= 1--      14.103                  7.493                 10.363
 ROA1   Fr= 1--     -59.380                -74.730                 19.364
 CID1   Fr= 1--      -4.211                 -9.973                  1.869
 Raman2 Fr= 1--       4.697                  2.843                  4.292
 ROA2   Fr= 1--     -22.539                -17.033                  4.376
 CID2   Fr= 1--      -4.798                 -5.991                  1.019
 Raman3 Fr= 1--       9.395                  5.687                  8.585
 ROA3   Fr= 1--     -59.380                -74.730                 19.364
 CID3   Fr= 1--      -6.321                -13.141                  2.256
 RC180  Fr= 1--       0.332                  0.518                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.02    -0.08  -0.07  -0.08    -0.02   0.03  -0.02
     2   6     0.03  -0.09   0.01     0.17   0.09   0.09     0.06  -0.06   0.03
     3   6     0.04   0.10  -0.01    -0.04  -0.00  -0.03    -0.01   0.18   0.09
     4   6     0.01  -0.04   0.03     0.01   0.01  -0.00    -0.04  -0.04  -0.02
     5   8    -0.01   0.01   0.01     0.00  -0.01  -0.01    -0.02   0.05   0.05
     6   6    -0.03   0.04  -0.00    -0.11  -0.07  -0.02    -0.04   0.02  -0.01
     7   7    -0.06  -0.06  -0.02    -0.00   0.00   0.02     0.04  -0.06  -0.07
     8   8    -0.02   0.01   0.01    -0.01   0.01   0.01     0.04  -0.03  -0.05
     9   1     0.51   0.48  -0.05    -0.00  -0.08  -0.02    -0.37  -0.05   0.12
    10   1     0.12  -0.12   0.05     0.27   0.05   0.13     0.03  -0.06   0.05
    11   1    -0.01  -0.10  -0.07     0.01   0.09   0.07    -0.04  -0.35  -0.27
    12   1     0.06   0.26  -0.05    -0.00   0.08  -0.00    -0.06  -0.58   0.02
    13   1     0.06  -0.44  -0.06     0.02  -0.07  -0.03    -0.07   0.35   0.12
    14   1     0.08  -0.04   0.13     0.16  -0.01  -0.40     0.10  -0.04   0.03
    15   1     0.04  -0.09   0.06     0.05   0.09   0.37     0.03  -0.06   0.08
    16   1    -0.01  -0.05  -0.20     0.18   0.15  -0.19     0.02   0.01  -0.13
    17   1     0.09  -0.07  -0.02     0.29   0.14  -0.10     0.07  -0.06  -0.02
    18   1     0.15  -0.04   0.01    -0.29  -0.09   0.31     0.07  -0.03   0.05
    19   1    -0.16  -0.05   0.07    -0.05   0.10   0.23    -0.12  -0.05   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.8007              1319.8077              1359.7613
 Red. masses --      1.3076                 1.4133                 1.4408
 Frc consts  --      1.2996                 1.4505                 1.5696
 IR Inten    --      0.4988                10.9367                11.6669
 RamAct Fr= 1--      8.4303                 6.7400                 3.1729
  Dep-P Fr= 1--      0.4517                 0.5144                 0.6651
  Dep-U Fr= 1--      0.6223                 0.6794                 0.7989
 Alpha2 Fr= 1--      0.0513                 0.0311                 0.0048
 Beta2  Fr= 1--      0.8744                 0.7632                 0.4225
 AlphaG Fr= 1--     -0.0108                 0.0377                 0.0188
 Gamma2 Fr= 1--     -0.2520                 0.6414                 0.1307
 Delta2 Fr= 1--     -1.0383                -0.7480                 0.4215
 Raman1 Fr= 1--      33.721                 26.960                 12.691
 ROA1   Fr= 1--     -57.423                 37.641                 26.035
 CID1   Fr= 1--      -1.703                  1.396                  2.051
 Raman2 Fr= 1--      10.493                  9.158                  5.070
 ROA2   Fr= 1--       2.258                 21.379                 -0.235
 CID2   Fr= 1--       0.215                  2.334                 -0.046
 Raman3 Fr= 1--      20.986                 18.316                 10.139
 ROA3   Fr= 1--     -57.423                 37.641                 26.035
 CID3   Fr= 1--      -2.736                  2.055                  2.568
 RC180  Fr= 1--       0.245                  0.359                  0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.01  -0.02   0.01     0.01  -0.07  -0.01
     2   6     0.02  -0.03  -0.01    -0.06   0.05  -0.04    -0.12   0.04   0.02
     3   6    -0.10   0.04   0.01     0.01   0.00   0.05     0.00   0.04   0.02
     4   6    -0.03  -0.08   0.00    -0.08  -0.10  -0.02     0.07   0.08   0.02
     5   8     0.03   0.01  -0.02     0.04   0.01  -0.02    -0.04  -0.02   0.01
     6   6    -0.01   0.05   0.00     0.01  -0.04  -0.00     0.03   0.00  -0.01
     7   7     0.03   0.01  -0.00     0.02  -0.02  -0.05    -0.01  -0.01  -0.00
     8   8    -0.01   0.02   0.02    -0.00   0.03   0.02    -0.00  -0.02  -0.02
     9   1     0.57  -0.41   0.07     0.04   0.53  -0.01     0.07  -0.08   0.04
    10   1     0.13   0.06  -0.44     0.35  -0.20   0.38     0.81  -0.18  -0.20
    11   1     0.04   0.30   0.21     0.06   0.38   0.28    -0.04  -0.26  -0.19
    12   1    -0.05  -0.19   0.01    -0.01  -0.22  -0.01     0.00  -0.02   0.00
    13   1    -0.02   0.18   0.00    -0.03   0.20   0.09    -0.00  -0.03   0.00
    14   1     0.05  -0.03   0.18    -0.07   0.01  -0.09    -0.10   0.03   0.03
    15   1     0.04  -0.09   0.02    -0.02   0.10   0.02    -0.01   0.04  -0.06
    16   1    -0.05  -0.03  -0.07     0.02   0.03   0.11    -0.05  -0.04   0.06
    17   1     0.02   0.00  -0.01    -0.04   0.06   0.00     0.06   0.16  -0.03
    18   1    -0.06  -0.01   0.02    -0.07   0.02  -0.03    -0.12  -0.01  -0.01
    19   1     0.03   0.01  -0.02     0.04   0.00  -0.02     0.16   0.09  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1383.7294              1406.7049              1426.9729
 Red. masses --      1.4250                 1.2556                 1.3023
 Frc consts  --      1.6075                 1.4639                 1.5624
 IR Inten    --     10.3827                 7.6586                 2.5922
 RamAct Fr= 1--      1.3595                 0.0780                 0.6842
  Dep-P Fr= 1--      0.7383                 0.3905                 0.5432
  Dep-U Fr= 1--      0.8495                 0.5617                 0.7040
 Alpha2 Fr= 1--      0.0003                 0.0006                 0.0027
 Beta2  Fr= 1--      0.1925                 0.0073                 0.0803
 AlphaG Fr= 1--      0.0013                 0.0028                 0.0120
 Gamma2 Fr= 1--     -0.7415                 0.0849                 0.1415
 Delta2 Fr= 1--      0.1975                 0.0398                 0.1332
 Raman1 Fr= 1--       5.438                  0.312                  2.737
 ROA1   Fr= 1--     -64.864                  9.425                 17.844
 CID1   Fr= 1--     -11.928                 30.190                  6.520
 Raman2 Fr= 1--       2.310                  0.088                  0.963
 ROA2   Fr= 1--     -19.376                  1.719                  2.330
 CID2   Fr= 1--      -8.389                 19.610                  2.418
 Raman3 Fr= 1--       4.620                  0.175                  1.927
 ROA3   Fr= 1--     -64.864                  9.425                 17.844
 CID3   Fr= 1--     -14.041                 53.747                  9.261
 RC180  Fr= 1--       0.699                  0.123                  0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04    -0.10  -0.02   0.06    -0.07  -0.01   0.02
     2   6     0.02   0.03  -0.15     0.01   0.00  -0.04    -0.01  -0.01   0.03
     3   6    -0.05   0.04   0.02     0.01   0.02   0.01     0.06   0.02  -0.02
     4   6     0.05   0.04   0.02    -0.01  -0.01  -0.00    -0.04  -0.03  -0.02
     5   8    -0.02  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.02  -0.04  -0.01     0.00  -0.01   0.08    -0.01  -0.00  -0.11
     7   7     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.00   0.01
     8   8    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.01
     9   1     0.39  -0.39   0.08     0.02  -0.13   0.02    -0.22  -0.12  -0.01
    10   1    -0.05  -0.18   0.64    -0.00  -0.04   0.12     0.05  -0.00  -0.05
    11   1    -0.03  -0.14  -0.11     0.00   0.02   0.01     0.01   0.08   0.06
    12   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.01   0.10  -0.00
    13   1    -0.00  -0.01  -0.02     0.00  -0.02  -0.02     0.01  -0.09  -0.04
    14   1     0.04  -0.08   0.08     0.02   0.11  -0.30     0.02  -0.19   0.44
    15   1     0.05   0.09   0.22    -0.15  -0.02  -0.25     0.20   0.06   0.37
    16   1     0.06   0.14   0.20     0.08  -0.08  -0.27    -0.07   0.18   0.41
    17   1    -0.11  -0.02   0.04     0.46   0.09   0.01     0.29   0.05  -0.01
    18   1    -0.05   0.07  -0.10     0.37  -0.08  -0.29     0.26  -0.09  -0.12
    19   1    -0.05  -0.09  -0.08     0.29   0.20  -0.31     0.19   0.17  -0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1438.1467              1487.0332              1497.5999
 Red. masses --      1.6555                 1.0428                 1.0518
 Frc consts  --      2.0174                 1.3587                 1.3899
 IR Inten    --     22.4839                 0.7311                 1.9572
 RamAct Fr= 1--      1.1877                 9.4220                 0.9554
  Dep-P Fr= 1--      0.7217                 0.7491                 0.7495
  Dep-U Fr= 1--      0.8383                 0.8565                 0.8568
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1660                 1.3450                 0.1364
 AlphaG Fr= 1--      0.0062                -0.0037                 0.0003
 Gamma2 Fr= 1--     -0.9417                 0.7163                -0.2307
 Delta2 Fr= 1--      0.6290                -0.0262                -0.1126
 Raman1 Fr= 1--       4.751                 37.688                  3.822
 ROA1   Fr= 1--     -70.278                 67.924                -25.751
 CID1   Fr= 1--     -14.793                  1.802                 -6.738
 Raman2 Fr= 1--       1.991                 16.140                  1.637
 ROA2   Fr= 1--     -27.633                 17.400                 -4.637
 CID2   Fr= 1--     -13.876                  1.078                 -2.832
 Raman3 Fr= 1--       3.983                 32.281                  3.275
 ROA3   Fr= 1--     -70.278                 67.924                -25.751
 CID3   Fr= 1--     -17.645                  2.104                 -7.864
 RC180  Fr= 1--       0.677                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.02     0.01  -0.04   0.01     0.02   0.00   0.02
     2   6     0.04   0.01   0.02     0.00  -0.00  -0.00    -0.02  -0.01   0.03
     3   6    -0.13  -0.11   0.03     0.00   0.00  -0.00     0.01   0.00  -0.01
     4   6     0.09   0.09   0.04    -0.01  -0.00   0.00    -0.00  -0.01  -0.00
     5   8    -0.03  -0.02   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.01   0.01  -0.04    -0.01   0.03  -0.00    -0.04  -0.01   0.00
     7   7     0.04   0.00  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.02  -0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.30   0.62  -0.04    -0.01  -0.01  -0.00    -0.05   0.02  -0.01
    10   1    -0.20   0.13  -0.13    -0.03  -0.00   0.04     0.04   0.01  -0.09
    11   1    -0.03  -0.16  -0.12     0.00   0.01   0.01     0.00   0.01   0.01
    12   1    -0.03  -0.21  -0.01     0.00   0.02  -0.00     0.03   0.05  -0.00
    13   1    -0.05   0.33   0.10    -0.00  -0.00  -0.00    -0.00  -0.00   0.02
    14   1     0.07  -0.07   0.12     0.26   0.01  -0.20     0.40  -0.18   0.15
    15   1     0.07  -0.03   0.12     0.11  -0.43  -0.00    -0.18   0.06  -0.30
    16   1    -0.03   0.07   0.15    -0.19  -0.06   0.21     0.35   0.40   0.03
    17   1     0.21   0.03   0.00    -0.10   0.55  -0.02     0.20   0.07   0.00
    18   1     0.12  -0.03  -0.10     0.07   0.07  -0.39    -0.28   0.18  -0.24
    19   1     0.12   0.07  -0.13    -0.12   0.01   0.34    -0.17  -0.28  -0.18
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.4797              1511.2743              1639.1403
 Red. masses --      1.0438                 1.0547                 1.1061
 Frc consts  --      1.3976                 1.4193                 1.7510
 IR Inten    --     13.5017                 5.3070                59.5376
 RamAct Fr= 1--      2.7586                 6.9837                 1.8384
  Dep-P Fr= 1--      0.7340                 0.7404                 0.7442
  Dep-U Fr= 1--      0.8466                 0.8508                 0.8534
 Alpha2 Fr= 1--      0.0008                 0.0011                 0.0002
 Beta2  Fr= 1--      0.3893                 0.9903                 0.2615
 AlphaG Fr= 1--     -0.0017                 0.0023                 0.0004
 Gamma2 Fr= 1--     -0.5069                 0.0969                -0.6413
 Delta2 Fr= 1--     -0.0596                 0.0689                -0.3594
 Raman1 Fr= 1--      11.034                 27.935                  7.354
 ROA1   Fr= 1--     -50.573                 11.508                -73.064
 CID1   Fr= 1--      -4.583                  0.412                 -9.936
 Raman2 Fr= 1--       4.671                 11.884                  3.138
 ROA2   Fr= 1--     -11.690                  1.775                -12.515
 CID2   Fr= 1--      -2.503                  0.149                 -3.989
 Raman3 Fr= 1--       9.342                 23.767                  6.275
 ROA3   Fr= 1--     -50.573                 11.508                -73.064
 CID3   Fr= 1--      -5.413                  0.484                -11.643
 RC180  Fr= 1--       0.693                  0.702                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.02    -0.01   0.01  -0.03    -0.00   0.00  -0.00
     2   6     0.01  -0.03  -0.01    -0.03   0.01  -0.02     0.00  -0.00   0.00
     3   6    -0.01  -0.00   0.00     0.00  -0.01   0.00    -0.01   0.01  -0.02
     4   6     0.01   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.03   0.00    -0.03   0.01   0.02     0.00   0.00   0.00
     7   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.02
     9   1     0.03   0.01  -0.00     0.03  -0.00   0.00     0.01  -0.09  -0.01
    10   1    -0.07  -0.00  -0.03     0.04  -0.03   0.03     0.00  -0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.02   0.01
    12   1    -0.01  -0.02  -0.00    -0.02  -0.01  -0.01     0.55   0.45   0.10
    13   1    -0.01   0.03  -0.00    -0.00   0.01  -0.01    -0.11   0.38   0.55
    14   1    -0.17  -0.05   0.26     0.45  -0.12  -0.04    -0.01   0.01  -0.01
    15   1    -0.15   0.47  -0.07    -0.08  -0.24  -0.25     0.00  -0.01   0.00
    16   1     0.28   0.15  -0.24     0.14   0.25   0.17    -0.01  -0.02  -0.01
    17   1    -0.23   0.37  -0.01    -0.25  -0.21   0.00    -0.01  -0.01  -0.00
    18   1     0.25  -0.07  -0.14     0.27  -0.21   0.37     0.03  -0.02   0.02
    19   1     0.02   0.19   0.41     0.23   0.31   0.14     0.02   0.02   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1811.5255              3024.6683              3028.2226
 Red. masses --      8.6278                 1.0488                 1.0685
 Frc consts  --     16.6816                 5.6532                 5.7728
 IR Inten    --    261.2511                14.6575                22.7514
 RamAct Fr= 1--     14.2302               104.5818                57.2073
  Dep-P Fr= 1--      0.1555                 0.0648                 0.4158
  Dep-U Fr= 1--      0.2692                 0.1217                 0.5874
 Alpha2 Fr= 1--      0.2169                 1.9940                 0.4000
 Beta2  Fr= 1--      0.6385                 2.1220                 5.6008
 AlphaG Fr= 1--     -0.0382                 0.0562                -0.1176
 Gamma2 Fr= 1--     -0.1491                 6.0047                 9.3679
 Delta2 Fr= 1--      0.4580                 5.0447                 9.0430
 Raman1 Fr= 1--      56.921                418.327                228.829
 ROA1   Fr= 1--       0.347                737.878               1188.695
 CID1   Fr= 1--       0.006                  1.764                  5.195
 Raman2 Fr= 1--       7.661                 25.464                 67.209
 ROA2   Fr= 1--      -7.242                103.754                152.486
 CID2   Fr= 1--      -0.945                  4.075                  2.269
 Raman3 Fr= 1--      15.323                 50.927                134.418
 ROA3   Fr= 1--       0.347                737.878               1188.695
 CID3   Fr= 1--       0.023                 14.489                  8.843
 RC180  Fr= 1--      -0.462                 -0.757                  0.175
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.02   0.01     0.02   0.00  -0.01
     2   6     0.01  -0.01   0.00     0.01   0.03   0.01     0.01   0.04   0.01
     3   6     0.05   0.01  -0.03     0.00  -0.00  -0.03     0.00  -0.01  -0.05
     4   6    -0.40   0.25   0.48     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.01
     7   7    -0.00   0.02   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8     0.23  -0.18  -0.30    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.18   0.04  -0.02    -0.01   0.04   0.34    -0.01   0.08   0.65
    10   1     0.01  -0.01  -0.00    -0.10  -0.33  -0.10    -0.14  -0.46  -0.14
    11   1     0.04   0.35   0.26     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.21  -0.13  -0.04     0.00   0.00  -0.01     0.00   0.00  -0.01
    13   1     0.04  -0.19  -0.19    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.01  -0.03  -0.01     0.06   0.22   0.07
    15   1    -0.02   0.04  -0.01     0.06   0.01  -0.02    -0.10  -0.03   0.04
    16   1     0.03   0.01  -0.04    -0.06   0.05  -0.02     0.08  -0.09   0.04
    17   1     0.00   0.01  -0.00    -0.03  -0.03  -0.45     0.02   0.01   0.28
    18   1    -0.01   0.01  -0.00     0.20   0.57   0.17    -0.09  -0.25  -0.07
    19   1    -0.02  -0.01   0.01     0.24  -0.26   0.12    -0.18   0.19  -0.09
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3034.6402              3036.6854              3083.0582
 Red. masses --      1.0833                 1.0376                 1.0995
 Frc consts  --      5.8776                 5.6374                 6.1577
 IR Inten    --     18.3501                18.2707                22.4982
 RamAct Fr= 1--    141.3430               199.9101                39.0343
  Dep-P Fr= 1--      0.1326                 0.0134                 0.4039
  Dep-U Fr= 1--      0.2341                 0.0265                 0.5754
 Alpha2 Fr= 1--      2.2830                 4.3049                 0.2852
 Beta2  Fr= 1--      5.5157                 0.8840                 3.7431
 AlphaG Fr= 1--     -0.0954                -0.1983                -0.0627
 Gamma2 Fr= 1--    -18.0839                 0.4121                -0.1869
 Delta2 Fr= 1--    -18.7010                 0.3740                 1.6324
 Raman1 Fr= 1--     565.372                799.640                156.137
 ROA1   Fr= 1--   -2334.488                 51.535                 34.295
 CID1   Fr= 1--      -4.129                  0.064                  0.220
 Raman2 Fr= 1--      66.188                 10.608                 44.917
 ROA2   Fr= 1--    -284.405                  6.899                -17.544
 CID2   Fr= 1--      -4.297                  0.650                 -0.391
 Raman3 Fr= 1--     132.376                 21.216                 89.835
 ROA3   Fr= 1--   -2334.488                 51.535                 34.295
 CID3   Fr= 1--     -17.635                  2.429                  0.382
 RC180  Fr= 1--      -0.532                 -0.947                  0.151
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.01  -0.00   0.01     0.00  -0.08  -0.04
     2   6    -0.02  -0.05  -0.02    -0.01  -0.02  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.01  -0.05     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.01  -0.05    -0.00   0.03  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01   0.07   0.65     0.00  -0.01  -0.07     0.00   0.00   0.04
    10   1     0.20   0.66   0.19     0.06   0.19   0.05     0.04   0.14   0.04
    11   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.05  -0.16  -0.05     0.16   0.54   0.17    -0.06  -0.19  -0.06
    15   1     0.02   0.01  -0.01    -0.45  -0.12   0.21    -0.06  -0.01   0.03
    16   1    -0.01   0.01  -0.01     0.37  -0.36   0.17     0.13  -0.12   0.06
    17   1    -0.01  -0.00  -0.12    -0.01  -0.01  -0.15     0.03   0.00   0.47
    18   1    -0.03  -0.09  -0.02     0.04   0.12   0.03     0.23   0.61   0.17
    19   1     0.06  -0.06   0.03     0.08  -0.08   0.04    -0.31   0.29  -0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2549              3096.8361              3103.1467
 Red. masses --      1.1014                 1.1008                 1.1018
 Frc consts  --      6.2131                 6.2202                 6.2509
 IR Inten    --     25.6173                42.6576                25.2564
 RamAct Fr= 1--     38.0572               110.7425                58.3670
  Dep-P Fr= 1--      0.5758                 0.6058                 0.7486
  Dep-U Fr= 1--      0.7308                 0.7545                 0.8562
 Alpha2 Fr= 1--      0.1247                 0.2947                 0.0014
 Beta2  Fr= 1--      4.6354                13.9258                 8.3294
 AlphaG Fr= 1--     -0.0471                -0.1914                -0.0208
 Gamma2 Fr= 1--    -11.3722                18.6163                -8.1269
 Delta2 Fr= 1--    -12.4477                14.7566                -1.7344
 Raman1 Fr= 1--     152.229                442.970                233.468
 ROA1   Fr= 1--   -1490.055               2259.378               -835.683
 CID1   Fr= 1--      -9.788                  5.101                 -3.579
 Raman2 Fr= 1--      55.625                167.109                 99.953
 ROA2   Fr= 1--    -173.350                328.740               -181.170
 CID2   Fr= 1--      -3.116                  1.967                 -1.813
 Raman3 Fr= 1--     111.250                334.218                199.905
 ROA3   Fr= 1--   -1490.055               2259.378               -835.683
 CID3   Fr= 1--     -13.394                  6.760                 -4.180
 RC180  Fr= 1--       0.462                  0.509                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05     0.04  -0.04   0.05    -0.00   0.00  -0.01
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.01  -0.07   0.00    -0.00  -0.05   0.00    -0.09  -0.01   0.01
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.03    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.04   0.13   0.04     0.03   0.11   0.03     0.01   0.04   0.01
    11   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.15   0.47   0.16     0.12   0.39   0.13     0.05   0.23   0.08
    15   1     0.07   0.00  -0.03     0.15   0.03  -0.07     0.73   0.19  -0.35
    16   1    -0.37   0.34  -0.17    -0.26   0.23  -0.12     0.32  -0.32   0.16
    17   1     0.02   0.03   0.50    -0.02  -0.03  -0.44     0.00   0.00   0.06
    18   1     0.05   0.15   0.03     0.04   0.08   0.04     0.01   0.02   0.00
    19   1     0.24  -0.25   0.10    -0.44   0.44  -0.20     0.05  -0.05   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.5648              3597.2549              3726.9170
 Red. masses --      1.0482                 1.0939                 1.0640
 Frc consts  --      7.6069                 8.3401                 8.7078
 IR Inten    --      5.3770                 8.9865                67.6812
 RamAct Fr= 1--     74.7245                25.2370                95.4468
  Dep-P Fr= 1--      0.0577                 0.6460                 0.2228
  Dep-U Fr= 1--      0.1090                 0.7850                 0.3645
 Alpha2 Fr= 1--      1.4493                 0.0472                 1.2192
 Beta2  Fr= 1--      1.3581                 3.3017                 5.7978
 AlphaG Fr= 1--     -0.4672                -0.0337                -0.0738
 Gamma2 Fr= 1--     -1.5125                -2.5166                -2.1780
 Delta2 Fr= 1--      0.0802                 0.7508                -0.0004
 Raman1 Fr= 1--     298.898                100.948                381.787
 ROA1   Fr= 1--    -142.636               -217.569               -209.101
 CID1   Fr= 1--      -0.477                 -2.155                 -0.548
 Raman2 Fr= 1--      16.297                 39.620                 69.574
 ROA2   Fr= 1--     -36.942                -66.406                -52.269
 CID2   Fr= 1--      -2.267                 -1.676                 -0.751
 Raman3 Fr= 1--      32.595                 79.241                139.148
 ROA3   Fr= 1--    -142.636               -217.569               -209.101
 CID3   Fr= 1--      -4.376                 -2.746                 -1.503
 RC180  Fr= 1--      -0.782                  0.570                 -0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   7    -0.02  -0.03  -0.04    -0.07  -0.01   0.04    -0.00   0.00  -0.00
     8   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.00
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.88   0.27  -0.39
    12   1    -0.32   0.18   0.69     0.22  -0.14  -0.56    -0.00  -0.00   0.00
    13   1     0.59   0.18  -0.05     0.75   0.22  -0.04     0.00   0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   613.791301254.597031341.77734
           X            0.99999   0.00236   0.00262
           Y           -0.00222   0.99879  -0.04914
           Z           -0.00274   0.04914   0.99879
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14111     0.06904     0.06455
 Rotational constants (GHZ):           2.94032     1.43850     1.34504
 Zero-point vibrational energy     431031.1 (Joules/Mol)
                                  103.01890 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     80.52   121.30   254.70   311.00   318.98
          (Kelvin)            354.66   399.56   426.06   497.49   572.39
                              643.94   833.79   856.71   952.26  1026.28
                             1153.35  1236.70  1251.09  1349.82  1378.16
                             1400.67  1513.63  1618.22  1636.55  1681.40
                             1726.21  1783.93  1868.68  1898.91  1956.39
                             1990.88  2023.93  2053.10  2069.17  2139.51
                             2154.71  2168.93  2174.39  2358.36  2606.38
                             4351.82  4356.94  4366.17  4369.11  4435.83
                             4451.94  4455.66  4464.74  5049.48  5175.65
                             5362.20
 
 Zero-point correction=                           0.164171 (Hartree/Particle)
 Thermal correction to Energy=                    0.173670
 Thermal correction to Enthalpy=                  0.174614
 Thermal correction to Gibbs Free Energy=         0.129974
 Sum of electronic and zero-point Energies=           -402.405553
 Sum of electronic and thermal Energies=              -402.396054
 Sum of electronic and thermal Enthalpies=            -402.395110
 Sum of electronic and thermal Free Energies=         -402.439750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.979             34.465             93.953
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.426
 Vibrational            107.202             28.503             25.339
 Vibration     1          0.596              1.975              4.595
 Vibration     2          0.601              1.960              3.788
 Vibration     3          0.628              1.871              2.360
 Vibration     4          0.645              1.816              1.991
 Vibration     5          0.648              1.808              1.945
 Vibration     6          0.661              1.769              1.755
 Vibration     7          0.679              1.715              1.548
 Vibration     8          0.690              1.681              1.439
 Vibration     9          0.724              1.584              1.185
 Vibration    10          0.764              1.475              0.971
 Vibration    11          0.807              1.366              0.803
 Vibration    12          0.936              1.076              0.486
 Vibration    13          0.953              1.041              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.164498D-59        -59.783840       -137.657378
 Total V=0       0.536470D+16         15.729545         36.218616
 Vib (Bot)       0.907904D-73        -73.041960       -168.185329
 Vib (Bot)    1  0.369148D+01          0.567200          1.306027
 Vib (Bot)    2  0.244115D+01          0.387595          0.892471
 Vib (Bot)    3  0.113575D+01          0.055284          0.127297
 Vib (Bot)    4  0.916549D+00         -0.037844         -0.087140
 Vib (Bot)    5  0.891556D+00         -0.049851         -0.114787
 Vib (Bot)    6  0.793079D+00         -0.100684         -0.231833
 Vib (Bot)    7  0.693143D+00         -0.159177         -0.366519
 Vib (Bot)    8  0.643603D+00         -0.191382         -0.440673
 Vib (Bot)    9  0.535048D+00         -0.271607         -0.625398
 Vib (Bot)   10  0.448731D+00         -0.348014         -0.801332
 Vib (Bot)   11  0.383914D+00         -0.415766         -0.957335
 Vib (Bot)   12  0.263075D+00         -0.579920         -1.335315
 Vib (Bot)   13  0.251943D+00         -0.598697         -1.378552
 Vib (V=0)       0.296091D+03          2.471425          5.690665
 Vib (V=0)    1  0.422519D+01          0.625846          1.441064
 Vib (V=0)    2  0.299183D+01          0.475937          1.095886
 Vib (V=0)    3  0.174094D+01          0.240784          0.554427
 Vib (V=0)    4  0.154406D+01          0.188664          0.434416
 Vib (V=0)    5  0.152219D+01          0.182469          0.420150
 Vib (V=0)    6  0.143754D+01          0.157619          0.362930
 Vib (V=0)    7  0.135466D+01          0.131831          0.303552
 Vib (V=0)    8  0.131500D+01          0.118926          0.273837
 Vib (V=0)    9  0.123231D+01          0.090720          0.208890
 Vib (V=0)   10  0.117183D+01          0.068866          0.158569
 Vib (V=0)   11  0.113039D+01          0.053228          0.122562
 Vib (V=0)   12  0.106499D+01          0.027344          0.062961
 Vib (V=0)   13  0.105989D+01          0.025260          0.058164
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.363872D+06          5.560948         12.804557
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1     111111111111 11111  1                                   
     7    5  5        10000000                                         8     655444443332 22111  0 99988 8  7 6 55   4 33222221      
     2    9  1        09983322                                         1     310983208629 40632  5 75376 0  1 6 98   4 94974217   85 
     7    7  0        37437585                                         2     917878774009 00975  2 48800 2  3 2 50   8 86686267   46 
 
     X    X  X        XXXXXXXX                                         X     XXXXXXXXXXXX XXXXX  X XXXXX X  X X XX   X XXXXXXXX   XX 
     X                XXXX  X                                          X     X    X       X  X         X X  X X XX                   
     X                 X                                               X     X               X         X X       X                   
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     X                                                                 X     X               X           X       X                   
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010902    0.000003247    0.000002748
      2        6          -0.000001761    0.000003346   -0.000018613
      3        6           0.000025816   -0.000035831   -0.000001968
      4        6          -0.000006568    0.000030933    0.000028732
      5        8           0.000003535   -0.000024682   -0.000013830
      6        6           0.000004683    0.000009912    0.000000725
      7        7          -0.000012633    0.000005944    0.000007436
      8        8           0.000011734   -0.000001518   -0.000012042
      9        1          -0.000010085    0.000001010   -0.000007752
     10        1           0.000001913    0.000001058   -0.000003017
     11        1          -0.000000502    0.000003243   -0.000002535
     12        1           0.000001190    0.000007078    0.000007434
     13        1           0.000002658   -0.000001507    0.000002639
     14        1           0.000001806   -0.000001639    0.000004452
     15        1          -0.000002569   -0.000001573    0.000001601
     16        1          -0.000001941   -0.000002012    0.000005113
     17        1          -0.000000577    0.000000462   -0.000001362
     18        1          -0.000001047    0.000001892   -0.000000938
     19        1          -0.000004750    0.000000640    0.000001175
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035831 RMS     0.000010402
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.862581D+02 -0.256948D+00 -0.246347D+01
      2  -0.256948D+00  0.759205D+02  0.204795D+01
      3  -0.246347D+01  0.204795D+01  0.741484D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.218095D+01  0.132469D+01 -0.871994D+00
      2   0.533677D+01 -0.673158D+01  0.299569D+02
      3   0.662958D+01 -0.261240D+02  0.762289D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.719569D+02 -0.224270D+02  0.239539D+01
      2  -0.392622D+02  0.228474D+02 -0.814359D+01
      3  -0.326946D+02 -0.420466D+00  0.574821D+01
      4  -0.244894D+02  0.466231D+02 -0.185885D+02
      5   0.108768D+02 -0.206615D+02  0.594072D+02
      6  -0.541996D+01  0.267853D+01 -0.780160D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.587623D-01  0.238331D+01 -0.330908D+01  0.376137D+01 -0.451031D+01
      2   0.238331D+01 -0.412458D+01  0.142008D+00 -0.451031D+01 -0.249713D+01
      3  -0.330908D+01  0.142008D+00  0.887159D+00  0.631232D-02 -0.195263D+01
                 6             7             8             9            10 
      1   0.631232D-02 -0.444501D+01  0.481197D+00 -0.552842D-01  0.173938D+01
      2  -0.195263D+01  0.481197D+00 -0.229228D+01  0.344891D+00 -0.276797D+01
      3   0.441141D+00 -0.552842D-01  0.344891D+00  0.694589D+01  0.394670D+01
                11            12            13            14            15 
      1  -0.276797D+01  0.394670D+01 -0.610223D+01  0.445752D+01  0.126639D+00
      2   0.419603D+01  0.205519D+00  0.445752D+01  0.380432D+01  0.288998D+01
      3   0.205519D+00 -0.308895D+00  0.126639D+00  0.288998D+01  0.161357D+00
                16            17            18            19            20 
      1   0.629916D+01 -0.394719D+00 -0.510167D-02 -0.409494D+01  0.436326D+01
      2  -0.394719D+00  0.315938D+01  0.188338D+00  0.436326D+01 -0.196597D+01
      3  -0.510167D-02  0.188338D+00 -0.483887D+01 -0.136528D+01  0.544529D+00
                21            22            23            24            25 
      1  -0.136528D+01  0.682975D+01 -0.172736D+01 -0.597621D-01 -0.331707D+01
      2   0.544529D+00 -0.172736D+01 -0.274123D+00 -0.518069D+00  0.630645D+00
      3  -0.392659D+00 -0.597621D-01 -0.518069D+00  0.182931D+01 -0.809611D+00
                26            27            28            29            30 
      1   0.630645D+00 -0.809611D+00  0.163630D+01 -0.263309D+01 -0.770795D+00
      2  -0.207407D+01  0.207253D+01 -0.263309D+01  0.552535D+00  0.152221D+01
      3   0.207253D+01  0.628488D+01 -0.770795D+00  0.152221D+01  0.696267D+00
                31            32            33            34            35 
      1  -0.300973D+01 -0.127820D+00  0.152594D+01 -0.365229D+01  0.142930D+01
      2  -0.127820D+00 -0.560695D+00  0.299452D+00  0.142930D+01 -0.412306D+00
      3   0.152594D+01  0.299452D+00 -0.128724D+01  0.152210D+01 -0.117473D+01
                36            37            38            39            40 
      1   0.152210D+01  0.427220D+01  0.139641D+01 -0.161313D+01 -0.764177D-01
      2  -0.117473D+01  0.139641D+01  0.153776D+01 -0.690649D+00 -0.211842D-01
      3  -0.309665D+01 -0.161313D+01 -0.690649D+00  0.295691D+00 -0.827165D+00
                41            42            43            44            45 
      1  -0.211842D-01 -0.827165D+00 -0.336498D+01 -0.163423D+01 -0.936511D+00
      2  -0.320238D+01 -0.157319D+01 -0.163423D+01 -0.206116D+01 -0.145114D+01
      3  -0.157319D+01 -0.743441D+00 -0.936511D+00 -0.145114D+01 -0.266020D+01
                46            47            48            49            50 
      1   0.122545D+01  0.312499D+01 -0.432972D+01  0.317890D+01 -0.336304D+01
      2   0.312499D+01 -0.319314D+01  0.152560D+00 -0.336304D+01 -0.240513D+01
      3  -0.432972D+01  0.152560D+00  0.507018D+00  0.145361D+00 -0.328049D+01
                51            52            53            54            55 
      1   0.145361D+00 -0.366990D+01 -0.224533D-01  0.414347D+00 -0.361589D+01
      2  -0.328049D+01 -0.224533D-01 -0.279123D+01 -0.831444D-01 -0.714193D+00
      3   0.404169D+00  0.414347D+00 -0.831444D-01  0.329495D+01  0.120825D+00
                56            57            58            59            60 
      1  -0.714193D+00  0.120825D+00 -0.187330D+01 -0.509102D+00  0.803865D-01
      2  -0.488738D+00 -0.158655D+00 -0.509102D+00  0.476408D+01 -0.130565D+01
      3  -0.158655D+00  0.134539D+01  0.803865D-01 -0.130565D+01 -0.133339D+01
                61            62            63            64            65 
      1  -0.101119D+00 -0.609014D+00  0.893850D+00 -0.646909D+01  0.224769D+01
      2  -0.609014D+00 -0.761236D+00 -0.522918D+00  0.224769D+01 -0.194686D+01
      3   0.893850D+00 -0.522918D+00 -0.339210D+01  0.287423D+01 -0.131590D+01
                66            67            68            69            70 
      1   0.287423D+01  0.368342D+01 -0.204273D+01 -0.100419D+01  0.569584D+01
      2  -0.131590D+01 -0.204273D+01  0.391181D+01  0.189300D+01 -0.866806D+00
      3  -0.205176D+01 -0.100419D+01  0.189300D+01  0.174300D+01 -0.283168D+01
                71            72            73            74            75 
      1  -0.866806D+00 -0.283168D+01  0.543427D+00 -0.813036D+00 -0.115051D+01
      2   0.248154D+01  0.216233D+01 -0.813036D+00  0.427088D+00  0.632320D-02
      3   0.216233D+01  0.618598D+01 -0.115051D+01  0.632320D-02  0.148592D+00
                76            77            78            79            80 
      1  -0.125821D+01  0.203000D+00  0.429589D-01 -0.128573D+01 -0.894723D-01
      2   0.203000D+00 -0.172567D+00 -0.130061D+01 -0.894723D-01 -0.155372D+01
      3   0.429589D-01 -0.130061D+01 -0.687968D+00  0.102965D+00 -0.742185D+00
                81            82            83            84            85 
      1   0.102965D+00 -0.144837D+01 -0.108473D+01 -0.105287D+01 -0.106412D+01
      2  -0.742185D+00 -0.108473D+01 -0.147771D+01 -0.158432D+00 -0.133962D+01
      3  -0.883690D+01 -0.105287D+01 -0.158432D+00 -0.414509D+00 -0.962224D-01
                86            87            88            89            90 
      1  -0.133962D+01 -0.962224D-01 -0.133042D+01 -0.167140D+00 -0.235011D+00
      2  -0.781867D+01 -0.162030D+01 -0.167140D+00 -0.172221D+01 -0.162617D+01
      3  -0.162030D+01 -0.160212D+01 -0.235011D+00 -0.162617D+01 -0.615453D+00
                91            92            93            94            95 
      1  -0.678915D+01 -0.320598D+01  0.220430D+00 -0.196371D+01 -0.163313D+01
      2  -0.320598D+01 -0.258132D+01  0.180905D-01 -0.163313D+01 -0.201196D+01
      3   0.220430D+00  0.180905D-01 -0.102639D+01  0.144627D+00  0.920861D-02
                96            97            98            99           100 
      1   0.144627D+00  0.233810D+01  0.126959D+01 -0.907384D+00 -0.103445D+01
      2   0.920861D-02  0.126959D+01  0.995366D+00 -0.537948D+00  0.255207D+00
      3  -0.548048D+00 -0.907384D+00 -0.537948D+00  0.309987D+00  0.542027D+00
               101           102           103           104           105 
      1   0.255207D+00  0.542027D+00  0.485978D+00 -0.350016D+00 -0.142183D+00
      2  -0.121612D+01 -0.242693D+00 -0.350016D+00  0.141086D+01  0.924224D+00
      3  -0.242693D+00 -0.161691D+01 -0.142183D+00  0.924224D+00  0.167798D+01
               106           107           108           109           110 
      1   0.143986D+01 -0.141708D+00 -0.991049D+00  0.557333D+01  0.219714D+01
      2  -0.141708D+00  0.215912D+01  0.183083D+01  0.219714D+01  0.261750D+01
      3  -0.991049D+00  0.183083D+01  0.376672D+01 -0.428102D+00  0.734902D-01
               111           112           113           114           115 
      1  -0.428102D+00  0.214003D+01  0.123901D+01  0.277129D+00 -0.708679D+00
      2   0.734902D-01  0.123901D+01  0.178125D+01 -0.930520D-01  0.315048D+00
      3   0.668743D+00  0.277129D+00 -0.930520D-01  0.671397D+00  0.327446D+00
               116           117           118           119           120 
      1   0.315048D+00  0.327446D+00  0.951224D+00  0.780549D+00  0.115202D+01
      2  -0.337390D+00  0.584412D+00  0.780549D+00  0.133580D+01  0.581504D+00
      3   0.584412D+00 -0.298762D+00  0.115202D+01  0.581504D+00  0.805749D+00
               121           122           123           124           125 
      1   0.131101D+01  0.126777D+01  0.855824D+00  0.865355D+00  0.475124D+00
      2   0.126777D+01  0.512156D+01  0.194702D+01  0.475124D+00  0.156913D+01
      3   0.855824D+00  0.194702D+01  0.290348D+01  0.483950D+00  0.158796D+01
               126           127           128           129           130 
      1   0.483950D+00 -0.530052D+01 -0.119094D+01  0.226718D+01 -0.114884D+01
      2   0.158796D+01 -0.119094D+01 -0.100212D+01  0.862950D+00 -0.647832D+00
      3   0.172793D+01  0.226718D+01  0.862950D+00 -0.314835D+01  0.547877D+00
               131           132           133           134           135 
      1  -0.647832D+00  0.547877D+00  0.172580D+01  0.554067D+00 -0.206225D+01
      2  -0.725744D+00  0.121331D+01  0.554067D+00  0.914216D+00 -0.739208D+00
      3   0.121331D+01 -0.985348D+00 -0.206225D+01 -0.739208D+00  0.267237D+01
               136           137           138           139           140 
      1   0.401910D+01 -0.256348D+01  0.252799D+01 -0.273581D+01  0.256183D+01
      2  -0.256348D+01  0.246988D+01 -0.135091D+01  0.256183D+01 -0.339543D+01
      3   0.252799D+01 -0.135091D+01  0.229140D+01 -0.138804D+01  0.230861D+01
               141           142           143           144           145 
      1  -0.138804D+01  0.150608D+01 -0.912719D+00  0.159506D+01  0.785417D-01
      2   0.230861D+01 -0.912719D+00  0.149750D+01 -0.157436D+01 -0.232408D+00
      3  -0.235204D+01  0.159506D+01 -0.157436D+01  0.203414D+01 -0.868417D+00
               146           147           148           149           150 
      1  -0.232408D+00 -0.868417D+00 -0.499912D+00  0.721833D+00  0.610622D-01
      2   0.230557D+00  0.105332D-01  0.721833D+00  0.631258D-03 -0.101510D+01
      3   0.105332D-01  0.400943D-01  0.610622D-01 -0.101510D+01 -0.374744D+00
               151           152           153           154           155 
      1  -0.183428D+01  0.116412D+00  0.184659D+01  0.235307D+01  0.159895D+01
      2   0.116412D+00 -0.105949D+01 -0.317543D+00  0.159895D+01  0.203963D+01
      3   0.184659D+01 -0.317543D+00 -0.958827D+01  0.476759D+00  0.874336D-01
               156           157           158           159           160 
      1   0.476759D+00  0.290723D+01  0.244830D+01 -0.132529D+00  0.141486D+01
      2   0.874336D-01  0.244830D+01  0.545409D+01  0.564858D+00  0.331039D+00
      3   0.410342D+00 -0.132529D+00  0.564858D+00  0.123193D+01  0.564172D+00
               161           162           163           164           165 
      1   0.331039D+00  0.564172D+00  0.630163D+01 -0.314168D+01  0.759745D+00
      2   0.121191D+01  0.873915D+00 -0.314168D+01  0.258978D+01 -0.289912D+00
      3   0.873915D+00 -0.165482D-01  0.759745D+00 -0.289912D+00  0.863039D+00
               166           167           168           169           170 
      1  -0.456540D+01  0.337288D+01 -0.164022D+00  0.242443D+01 -0.764157D+00
      2   0.337288D+01 -0.318476D+01  0.609431D+00 -0.764157D+00  0.107693D+01
      3  -0.164022D+00  0.609431D+00 -0.114944D+01  0.108340D+01 -0.875844D+00
               171 
      1   0.108340D+01
      2  -0.875844D+00
      3   0.120892D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.340771D+01  0.355260D+01  0.398313D+00  0.458786D+01  0.129672D+01
      2  -0.876895D+01  0.229668D+01  0.997677D+00  0.342617D+01 -0.920338D+01
      3  -0.680650D+01  0.883732D+01  0.116999D+01  0.165641D+02  0.994067D+01
                 6             7             8             9            10 
      1  -0.665544D+00  0.646538D+00  0.351156D+01  0.137905D+01  0.349037D+01
      2   0.963049D+00 -0.861130D+01  0.114837D+01  0.207708D+02  0.718296D+01
      3   0.407912D+01 -0.773699D+00  0.637884D+01 -0.105838D+01  0.799743D+00
                11            12            13            14            15 
      1  -0.779801D+00  0.208616D+00 -0.772960D+00  0.405139D+01 -0.516126D+01
      2  -0.145317D+01  0.448223D+01 -0.418248D+01  0.437793D+01 -0.222751D+00
      3  -0.455317D+01 -0.173956D+01  0.181367D+01 -0.111867D+02 -0.314133D+01
                16            17            18            19            20 
      1  -0.715789D+00  0.205782D+01 -0.255620D+01 -0.274829D+01 -0.207851D+00
      2  -0.266053D+01  0.898942D+00 -0.483391D+01 -0.183939D+01  0.212214D+01
      3  -0.100131D+01 -0.283351D+01 -0.742458D+00  0.735998D+01 -0.605289D+01
                21            22            23            24            25 
      1  -0.126939D+01  0.202523D+01  0.970464D-01  0.206595D+01 -0.269478D+01
      2   0.237038D+01  0.591681D+01 -0.183829D+01  0.215358D+01 -0.747774D+01
      3   0.761526D+00  0.168902D+01  0.653339D+00 -0.731560D+00 -0.215014D+01
                26            27            28            29            30 
      1   0.477132D+01 -0.217153D+01  0.149384D+01  0.325425D+01  0.171375D+01
      2   0.121241D+01 -0.188616D+01 -0.615845D+01 -0.962015D+00 -0.511933D+01
      3   0.132155D+01  0.209653D+00 -0.100756D+02  0.269597D+01 -0.205610D+01
                31            32            33            34            35 
      1   0.149359D+00 -0.788338D+01 -0.491386D+00  0.117319D+01  0.200499D+01
      2   0.330414D+01  0.201872D+01  0.266542D+00 -0.980396D+01  0.221145D+00
      3   0.419579D+01  0.338708D+01 -0.232937D+01 -0.593605D+01 -0.675497D+01
                36            37            38            39            40 
      1   0.665412D+01 -0.291452D+01 -0.748686D+00 -0.544541D+00  0.345960D-01
      2   0.893642D+01  0.577556D+01  0.278521D+01  0.110656D+01 -0.280719D+01
      3  -0.216786D+01 -0.122949D+01 -0.139873D+01  0.711440D+00  0.504508D+01
                41            42            43            44            45 
      1   0.235157D+01 -0.444130D+01  0.252959D+01  0.351317D+01 -0.295587D+01
      2   0.229012D+01  0.206530D+01 -0.502154D+01  0.141365D+01  0.560154D+01
      3  -0.758427D+01 -0.219323D+01  0.254155D+01 -0.196101D+01 -0.270124D+01
                46            47            48            49            50 
      1   0.276237D+01 -0.571084D+01  0.381707D+00 -0.619907D+01 -0.728402D+01
      2  -0.965755D+01 -0.616143D+01  0.132389D+02 -0.453530D+01  0.156906D+01
      3  -0.500990D+01  0.115773D-01  0.228466D+01  0.460264D+01  0.554560D+01
                51            52            53            54            55 
      1  -0.100410D+02 -0.330613D-01 -0.364995D+01  0.287497D+01  0.106545D+01
      2  -0.305062D-01  0.578047D+01  0.243496D+00  0.232005D+01 -0.203720D+01
      3   0.415042D+01  0.212607D+01  0.345657D+01  0.243331D-01 -0.128736D+02
                56            57            58            59            60 
      1   0.241454D+01 -0.307308D+01  0.437510D+00 -0.269950D+01 -0.327192D+01
      2   0.162581D+00  0.267445D+01 -0.691082D+00 -0.184391D+00 -0.118502D+01
      3  -0.715655D+01 -0.314247D+00  0.460315D+01 -0.707681D+00  0.585040D+00
                61            62            63            64            65 
      1  -0.246294D+01  0.713526D+01  0.918700D+01 -0.640666D+00 -0.294484D+01
      2  -0.222043D+01 -0.227521D+00  0.926186D+00 -0.150774D+01  0.217020D+01
      3  -0.211894D+01 -0.174179D+01  0.380260D+01  0.247460D+01 -0.843631D+01
                66            67            68            69            70 
      1   0.131151D+01  0.673554D+00  0.272850D+01 -0.327883D+01 -0.453526D+00
      2   0.946243D+01  0.905947D+00 -0.498853D+01 -0.339449D+01  0.111387D+01
      3  -0.620617D+00  0.681972D+00  0.627292D+01  0.388966D+01  0.400336D+01
                71            72            73            74            75 
      1   0.504118D+01 -0.239692D+01  0.634779D+00 -0.384268D+00  0.321933D+00
      2  -0.337505D+01 -0.137740D+02  0.773676D+00 -0.745640D+00 -0.370053D+00
      3   0.742055D+01  0.352726D+01 -0.130058D+00 -0.800924D-01 -0.490830D+00
                76            77            78            79            80 
      1  -0.475661D+00  0.732804D+00  0.165217D+00  0.397119D+00  0.351182D+01
      2  -0.112628D+01  0.140263D+00 -0.235144D+00 -0.405519D+01  0.183876D-01
      3   0.155942D+01 -0.154212D+00 -0.313997D+00  0.502074D+00 -0.267379D+00
                81            82            83            84            85 
      1   0.185765D+01 -0.126572D+01 -0.569678D-01 -0.607150D+00 -0.209233D+00
      2   0.649797D+00 -0.172496D+01 -0.301643D+00  0.661341D-01 -0.488166D+00
      3  -0.140566D+00  0.396818D+01  0.177329D+01  0.122528D+01  0.550974D+01
                86            87            88            89            90 
      1   0.674272D-01 -0.376882D+01 -0.116793D+00  0.135477D+00 -0.444007D+00
      2  -0.165826D+01 -0.133879D+01 -0.204486D+01 -0.174951D+01 -0.544343D+00
      3   0.915568D+01  0.201299D+01  0.201414D+01  0.199487D+01  0.197729D+01
                91            92            93            94            95 
      1   0.317046D+01  0.197964D+01 -0.165496D+01  0.174631D+01  0.160053D+01
      2  -0.522110D+01 -0.286788D+01  0.330545D+01 -0.218978D+01 -0.150794D+01
      3   0.208182D+01 -0.286525D+01 -0.499241D+00  0.302213D+00 -0.166229D+01
                96            97            98            99           100 
      1  -0.838434D+00 -0.173922D+01 -0.706663D+00  0.110274D+01 -0.172347D+01
      2   0.142526D+01  0.270212D+01  0.159161D+01 -0.215991D+01  0.491455D+00
      3   0.137706D+00 -0.234541D+00  0.133609D+01 -0.327843D+00 -0.230368D+01
               101           102           103           104           105 
      1  -0.123712D-01  0.416677D+01  0.703012D-02 -0.197066D+01 -0.452537D+01
      2   0.413005D+00  0.921774D-01  0.306359D+00  0.367859D-01  0.350636D-01
      3  -0.576610D+00  0.149193D+01  0.715298D+00 -0.894202D+00 -0.165020D+00
               106           107           108           109           110 
      1   0.276555D+01 -0.302955D+01 -0.113072D+02 -0.468398D+00 -0.149645D+01
      2  -0.191279D+01  0.173019D+00 -0.100937D+01  0.229648D+01  0.520847D+00
      3   0.449360D+01 -0.342733D+00 -0.317022D+01  0.160632D+02  0.176555D+01
               111           112           113           114           115 
      1  -0.233740D+01 -0.130273D+01 -0.551015D+00 -0.134175D+01 -0.657034D+00
      2   0.163015D+01  0.553804D+00  0.445132D+00  0.888351D+00 -0.840492D+00
      3  -0.581524D+00  0.438611D+01  0.219635D+01  0.731857D+00 -0.139938D+01
               116           117           118           119           120 
      1   0.147305D+00 -0.550990D+00  0.223637D+01  0.287411D+01  0.132535D+01
      2   0.454346D+00  0.150234D+00  0.205876D+00 -0.664474D+00  0.278911D+00
      3   0.651182D+00  0.286740D+00 -0.920848D+00 -0.286216D+01 -0.123907D+01
               121           122           123           124           125 
      1   0.247164D+01  0.134888D+02  0.274894D+01  0.162798D+01  0.493389D+01
      2  -0.228539D+01  0.273060D+00  0.303205D+01 -0.219993D+01  0.985025D+00
      3   0.115101D+00 -0.827733D+01 -0.234238D+01 -0.747553D+00 -0.175881D+01
               126           127           128           129           130 
      1   0.366810D+01 -0.305403D+00 -0.231303D+01 -0.122213D+01 -0.105806D+01
      2   0.132447D+01  0.161755D+02  0.302611D+01 -0.570870D+01  0.267470D+01
      3  -0.249186D+01  0.579430D+01  0.172420D+00 -0.183811D+01  0.248152D+01
               131           132           133           134           135 
      1  -0.773162D-01  0.467915D+00 -0.547117D+00  0.239029D+01  0.485903D+00
      2   0.250977D+01 -0.182766D+01 -0.752685D+01 -0.202943D+01  0.601194D+01
      3   0.881654D+00 -0.162462D+01 -0.162773D+01 -0.578451D+00  0.223306D+01
               136           137           138           139           140 
      1  -0.274178D+01  0.442914D+01  0.256324D+00  0.368763D+01 -0.477558D+01
      2  -0.422595D+01  0.275445D+01  0.677478D+00  0.387070D+01 -0.144420D+01
      3  -0.194168D+00 -0.294853D+01  0.129195D+00  0.158724D+00  0.334055D+01
               141           142           143           144           145 
      1   0.647708D+00 -0.704656D+00  0.275985D+01 -0.831410D+00 -0.216195D+00
      2  -0.149259D+01 -0.263109D+01 -0.333434D-01  0.405896D+00 -0.274617D+01
      3  -0.213690D+01 -0.498262D+00 -0.185540D+01  0.932166D+00  0.835039D+00
               146           147           148           149           150 
      1  -0.133155D+00 -0.362120D-01 -0.519208D+00 -0.417064D+00 -0.114318D+00
      2  -0.121709D+00  0.396085D+00 -0.323777D+00 -0.157521D+01 -0.868806D+00
      3  -0.125969D+01  0.317061D+00 -0.870145D+00 -0.618655D+00  0.233115D+01
               151           152           153           154           155 
      1   0.410646D+00  0.360498D+01 -0.285398D+01 -0.114814D+01 -0.176421D+01
      2  -0.395607D+00 -0.696282D+00 -0.239064D+02  0.294258D+01  0.169199D+01
      3   0.483444D+00  0.297946D+01  0.404644D+00 -0.477711D+01 -0.689076D+01
               156           157           158           159           160 
      1  -0.830662D+00 -0.184106D+01 -0.413784D+01 -0.247266D+01 -0.341240D+00
      2   0.243664D+01  0.150473D+01  0.422732D+01  0.434188D+01  0.122130D+01
      3  -0.463036D+00 -0.462031D+01 -0.185879D+02 -0.218492D+01 -0.564943D+00
               161           162           163           164           165 
      1   0.244118D+00 -0.102580D+01  0.272665D+01 -0.195180D+01  0.149126D+01
      2   0.263134D+01  0.656719D+00  0.681371D+01 -0.364568D+01  0.506918D+01
      3  -0.408796D+01 -0.245921D+01  0.507075D+01 -0.813761D+01  0.723281D+00
               166           167           168           169           170 
      1  -0.221309D+01  0.236203D+01 -0.276978D+01  0.788894D+00 -0.414637D+00
      2  -0.383391D+01  0.451203D+01 -0.457530D+01  0.345360D+01 -0.274981D+01
      3  -0.580212D+01  0.816861D+01 -0.198727D+01  0.888320D+00 -0.335710D+01
               171 
      1   0.912287D+00
      2   0.159271D+01
      3   0.186188D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.116721D+01  0.123918D+02 -0.170774D+02  0.142504D+02 -0.267446D+02
      2  -0.569192D+01 -0.423111D+01  0.789128D+01 -0.491646D+01  0.796148D+01
      3   0.685913D+01 -0.816068D+01  0.918608D+01 -0.933395D+01  0.187831D+02
      4   0.154175D+02 -0.240124D+02  0.288400D+01 -0.308911D+02 -0.996263D+01
      5  -0.178260D+02 -0.651134D+00  0.561466D+01 -0.136161D+01 -0.759333D+01
      6   0.541611D+00  0.303041D+01 -0.746162D+00  0.267073D+01  0.380046D+01
                 6             7             8             9            10 
      1  -0.926816D-01 -0.214156D+02  0.241254D+01  0.131602D+02 -0.884569D+01
      2   0.121128D+01  0.694527D+01  0.160812D+00  0.827912D+01  0.201772D+00
      3  -0.111860D+01  0.144703D+02 -0.257335D+01 -0.214393D+02  0.864391D+01
      4  -0.976530D+01  0.492357D+01 -0.126839D+02  0.224129D+01 -0.552293D+01
      5   0.147361D+01  0.268670D+01  0.147467D+01  0.298666D+02  0.139378D+02
      6   0.148717D+01  0.215714D+00  0.179144D+01 -0.686962D+01 -0.443945D+01
                11            12            13            14            15 
      1  -0.221977D+01  0.127325D+02 -0.283331D+01  0.186298D+02  0.359396D+01
      2  -0.597416D+00 -0.885739D+01  0.187042D+00 -0.225611D+02 -0.545825D+01
      3   0.281718D+01 -0.387511D+01  0.264627D+01  0.393133D+01  0.186429D+01
      4   0.863752D+01 -0.250588D+01  0.158362D+02  0.285654D+01  0.443235D+01
      5   0.349789D+00 -0.238867D+01  0.407516D+00  0.442253D+01 -0.944823D-01
      6  -0.541023D+00  0.196119D+00  0.976673D-01 -0.838221D+01  0.246188D+01
                16            17            18            19            20 
      1   0.161312D+02  0.129130D+01  0.215735D+01 -0.447263D+01 -0.294536D+00
      2  -0.833189D+01 -0.424548D+01 -0.138897D+01  0.782480D+01 -0.318135D+01
      3  -0.779930D+01  0.295418D+01 -0.768376D+00 -0.335217D+01  0.347588D+01
      4  -0.431701D+01  0.533929D+01  0.893660D+00  0.276156D+00 -0.125681D+01
      5  -0.182234D+01  0.121965D+01 -0.115485D+02 -0.421734D+01 -0.866743D+00
      6  -0.392600D+00 -0.206790D+01  0.391257D+01  0.588832D+00  0.370840D+00
                21            22            23            24            25 
      1  -0.216922D+01  0.299214D+01  0.354166D+00  0.123763D+01 -0.691285D+01
      2   0.375097D+01 -0.402934D+01 -0.164991D+01  0.340058D+01  0.397534D+01
      3  -0.158175D+01  0.103720D+01  0.129574D+01 -0.463821D+01  0.293750D+01
      4   0.567802D+00 -0.106411D+02  0.404409D+01 -0.181915D+01  0.252687D+01
      5   0.182560D+01  0.417836D+00  0.693186D+00  0.371019D+01  0.189735D+01
      6  -0.475363D+00 -0.236035D+01  0.383860D+01 -0.587598D+01 -0.996162D+00
                26            27            28            29            30 
      1   0.643980D+01  0.825618D+01 -0.860805D+01  0.874695D+01 -0.489210D+00
      2  -0.360456D+01  0.164281D+02  0.358894D+01 -0.662253D+01 -0.340977D+01
      3  -0.283524D+01 -0.246843D+02  0.501912D+01 -0.212441D+01  0.389898D+01
      4  -0.767210D-01 -0.154776D+01  0.680251D+01 -0.883553D+01 -0.735043D+01
      5  -0.501995D+00 -0.197393D+00  0.736298D+01 -0.706644D+01 -0.114821D+02
      6   0.440528D+01 -0.106363D+01 -0.472907D+01  0.166860D+01 -0.244036D+01
                31            32            33            34            35 
      1   0.113652D+02  0.235371D+01 -0.367257D+01  0.133696D+02 -0.292701D+01
      2  -0.665595D+01 -0.532890D+01  0.808354D+01 -0.772417D+01 -0.280051D+01
      3  -0.470929D+01  0.297518D+01 -0.441097D+01 -0.564542D+01  0.572752D+01
      4  -0.531554D+01 -0.213726D+01  0.373016D+00 -0.101014D+02  0.776110D+01
      5  -0.146604D+02  0.133261D+01 -0.227928D+01 -0.999913D+01  0.182859D+01
      6  -0.210960D+01 -0.591404D+01 -0.186372D+01 -0.106311D+01 -0.174142D+01
                36            37            38            39            40 
      1  -0.658402D+01 -0.139003D+02 -0.650854D+01  0.730268D+01 -0.513918D+01
      2   0.536959D+01  0.214668D+01  0.278889D+01 -0.450980D+01  0.232110D+01
      3   0.121444D+01  0.117536D+02  0.371965D+01 -0.279288D+01  0.281808D+01
      4   0.402798D+01 -0.121768D+02 -0.225898D+01  0.577544D+01  0.629705D+01
      5   0.149271D+02  0.729939D+01  0.333533D+01  0.743395D+01  0.719251D+01
      6  -0.517997D+01  0.492622D+01  0.203273D+01  0.141186D+01  0.517410D+01
                41            42            43            44            45 
      1  -0.140915D+02 -0.118210D+01  0.119244D+02  0.125343D+01 -0.428402D+01
      2   0.200000D+02  0.238133D+00 -0.493909D+01  0.213195D+01 -0.399335D+01
      3  -0.590849D+01  0.943968D+00 -0.698531D+01 -0.338539D+01  0.827737D+01
      4   0.145579D+02  0.693575D+01  0.128457D+02  0.102109D+02  0.495652D+01
      5   0.696459D+01  0.695954D+01  0.115681D+02  0.768254D+01  0.141123D+02
      6   0.822058D+01  0.932091D+01  0.295554D+01  0.978402D+01  0.859037D+01
                46            47            48            49            50 
      1   0.115331D+02  0.658486D+01 -0.104891D+02  0.545899D+01 -0.372080D+01
      2  -0.498871D+00 -0.696041D-01  0.292608D+01  0.236571D+00  0.945544D+01
      3  -0.110342D+02 -0.651525D+01  0.756305D+01 -0.569556D+01 -0.573464D+01
      4   0.587430D+01 -0.140262D+02  0.845906D+01 -0.153574D+02 -0.185552D+01
      5  -0.530177D+01  0.100935D+02 -0.121299D+02  0.860819D+01 -0.186180D+02
      6   0.156270D+02 -0.111860D+02 -0.200415D+00 -0.124882D+02 -0.474984D+01
                51            52            53            54            55 
      1   0.804259D+00 -0.100991D+02 -0.548196D+00 -0.699395D+01  0.182247D+01
      2   0.312307D+01  0.245387D+01  0.261998D+01 -0.561363D+01 -0.351976D+01
      3  -0.392733D+01  0.764522D+01 -0.207178D+01  0.126076D+02  0.169729D+01
      4  -0.114920D+02  0.675671D+01 -0.848029D+01 -0.952776D-01 -0.176737D+02
      5   0.113229D+01 -0.116130D+02 -0.757614D+00  0.100412D+02  0.564733D+01
      6  -0.140083D+02 -0.378274D+00 -0.104146D+02 -0.837007D+00 -0.125628D+01
                56            57            58            59            60 
      1  -0.108021D+01  0.178511D+01 -0.263464D+01 -0.212815D+02  0.317173D+01
      2  -0.281493D+01 -0.181689D+01  0.587085D+00  0.325422D+02 -0.539231D+01
      3   0.389515D+01  0.317775D-01  0.204756D+01 -0.112606D+02  0.222057D+01
      4  -0.119966D+01 -0.210766D+01  0.298914D+01 -0.395656D+01  0.786660D+00
      5  -0.138838D+01  0.399588D+01 -0.213882D+00  0.655788D-01 -0.266034D+01
      6  -0.609566D+00  0.419156D+01  0.972503D+00 -0.689067D+01  0.618464D+01
                61            62            63            64            65 
      1   0.108183D+01  0.522974D+01 -0.981190D+00  0.350657D+02 -0.889573D+01
      2  -0.324043D+01 -0.291965D+01 -0.623592D+01 -0.189172D+02  0.344232D+01
      3   0.215860D+01 -0.231008D+01  0.721711D+01 -0.161485D+02  0.545341D+01
      4  -0.244795D+01 -0.220238D+00  0.328857D+01 -0.139763D+02  0.174283D+02
      5   0.351277D+01 -0.913212D-01  0.146897D+01 -0.169544D+02  0.736752D+01
      6   0.301024D+01  0.139517D+01 -0.160246D+02  0.224407D+01 -0.297831D+01
                66            67            68            69            70 
      1  -0.871134D+01 -0.116606D+02  0.153869D+01  0.868362D+00 -0.143528D+02
      2   0.938384D+01  0.455085D+01  0.483531D+01 -0.207190D+01  0.974902D+01
      3  -0.672498D+00  0.710978D+01 -0.637400D+01  0.120353D+01  0.460379D+01
      4   0.733275D+01  0.160738D+02 -0.164693D+02 -0.922005D+01  0.550598D+01
      5   0.194410D+02  0.683226D+01 -0.957432D+01 -0.677221D+01  0.212189D+02
      6  -0.165820D+01 -0.418818D+01  0.317436D+01  0.754276D+01 -0.317911D+01
                71            72            73            74            75 
      1   0.782733D-01  0.183707D+01  0.105545D+01  0.113923D+00 -0.332696D-01
      2  -0.130728D+00 -0.145639D+02 -0.516122D+01  0.463670D+00 -0.488616D-01
      3   0.524544D-01  0.127269D+02  0.410577D+01 -0.577593D+00  0.821312D-01
      4  -0.130466D+02 -0.106266D+02 -0.279596D+00  0.149814D+01 -0.352481D+00
      5  -0.914911D+01 -0.289189D+02 -0.648424D-01  0.378224D+00  0.617751D+01
      6   0.740055D+01  0.392017D+01 -0.155376D+00  0.277882D+00 -0.269169D+00
                76            77            78            79            80 
      1   0.743680D+00 -0.357883D+01 -0.804722D+00  0.102748D+01  0.102032D+00
      2   0.134654D+00 -0.844586D+00 -0.281837D+01  0.324104D-01 -0.399111D+01
      3  -0.878334D+00  0.442342D+01  0.362309D+01 -0.105989D+01  0.388908D+01
      4   0.237545D+01 -0.301272D+00  0.325606D+00  0.762802D-01  0.864770D-01
      5   0.398877D+00 -0.110098D+00 -0.262394D+00  0.524788D+01  0.125559D+00
      6   0.590828D+00  0.267657D+00  0.694073D+01  0.644594D+00  0.475567D+01
                81            82            83            84            85 
      1  -0.193907D+02 -0.119226D+01 -0.400072D+01 -0.264391D+01 -0.521848D+01
      2  -0.190187D+02  0.464225D+01  0.516222D+01  0.233046D+01  0.568718D+01
      3   0.384093D+02 -0.344999D+01 -0.116150D+01  0.313449D+00 -0.468703D+00
      4   0.106296D+01  0.100770D+01  0.394202D+01  0.108708D+01  0.261704D+01
      5   0.725559D+00 -0.150062D+01  0.854405D+00  0.111360D+01  0.120105D+01
      6  -0.175582D+01  0.204252D+01  0.170902D+01  0.920702D+00  0.127860D+01
                86            87            88            89            90 
      1  -0.197158D+02 -0.277672D+01 -0.390286D+01 -0.396624D+01 -0.504940D+01
      2   0.313116D+02  0.556060D+01  0.260603D+01  0.448839D+01  0.354815D+01
      3  -0.115959D+02 -0.278388D+01  0.129683D+01 -0.522147D+00  0.150125D+01
      4  -0.942597D+01 -0.205339D+01  0.630194D+00 -0.212258D+01 -0.170916D+01
      5  -0.215960D+01 -0.311282D+01  0.208523D+01 -0.224833D+01 -0.167593D+00
      6   0.827024D+01  0.671730D+01  0.152329D+01  0.865283D+01  0.432072D+01
                91            92            93            94            95 
      1   0.330182D+02  0.125922D+02 -0.206842D+01  0.551531D+01  0.440361D+01
      2  -0.113339D+02 -0.193775D+01 -0.426022D-01  0.856903D+00  0.219550D+01
      3  -0.216843D+02 -0.106544D+02  0.211102D+01 -0.637221D+01 -0.659911D+01
      4   0.246830D+02  0.162578D+02 -0.725262D+00  0.116507D+02  0.109352D+02
      5   0.271406D+01  0.151745D+01  0.459941D+01  0.674484D+00  0.754688D+00
      6  -0.891464D+00  0.218322D+00  0.210283D+01  0.331512D+00  0.269497D+00
                96            97            98            99           100 
      1  -0.391180D+00 -0.102000D+02 -0.453541D+01  0.308924D+01 -0.222409D+00
      2  -0.377692D+00  0.304783D+01  0.395690D+00 -0.124525D+01  0.573865D+00
      3   0.768872D+00  0.715218D+01  0.413972D+01 -0.184399D+01 -0.351456D+00
      4  -0.441267D+00 -0.893644D+01 -0.614829D+01  0.386799D+01 -0.152995D+01
      5   0.186774D+01  0.468535D+01  0.246481D+01 -0.172325D+01 -0.832734D+00
      6   0.166264D+01  0.303305D+01  0.214532D+01 -0.137078D+01  0.259342D+01
               101           102           103           104           105 
      1   0.291504D+01 -0.633560D-01  0.122808D+01 -0.395878D+01 -0.269605D+01
      2  -0.440172D+01 -0.993482D+00 -0.161535D+01  0.604007D+01  0.372441D+01
      3   0.148667D+01  0.105684D+01  0.387268D+00 -0.208129D+01 -0.102836D+01
      4   0.255633D+01  0.188581D+01  0.261605D+01 -0.153358D+01 -0.772049D+00
      5   0.429733D+00  0.801509D+00  0.419441D+00 -0.607918D+00  0.103522D+00
      6   0.139479D+00 -0.587842D+01 -0.697870D+00  0.379754D+01  0.844992D+01
               106           107           108           109           110 
      1   0.866933D+00 -0.665080D+01 -0.778742D+01  0.543265D+01 -0.283853D+01
      2  -0.344212D+00  0.856091D+01  0.551341D+01  0.402368D+01  0.948269D+01
      3  -0.522721D+00 -0.191011D+01  0.227400D+01 -0.945633D+01 -0.664416D+01
      4   0.404774D+01 -0.989501D+00 -0.369770D+01  0.202702D+02  0.133910D+02
      5   0.132462D+01 -0.665687D+00 -0.395083D+00 -0.407940D+01 -0.102928D+01
      6  -0.470736D+01  0.101572D+02  0.155944D+02 -0.228446D+01 -0.867463D+00
               111           112           113           114           115 
      1  -0.102435D+01  0.136741D+00 -0.129076D+01  0.427418D+00 -0.157617D+01
      2   0.997232D+00  0.432597D+01  0.627041D+01 -0.601400D+00  0.223909D+01
      3   0.271150D-01 -0.446272D+01 -0.497965D+01  0.173981D+00 -0.662914D+00
      4  -0.129987D+01  0.113645D+02  0.767584D+01  0.107891D+01 -0.118755D+01
      5   0.253553D+01 -0.350629D+00 -0.453082D+00  0.122439D+01  0.317650D+01
      6   0.297206D+01  0.565689D+00 -0.749578D+00  0.284554D+01  0.134351D+01
               116           117           118           119           120 
      1   0.478372D+00 -0.789412D+00  0.227769D+01  0.233214D+01  0.190845D+01
      2   0.409231D+00  0.864322D+00 -0.329723D+01 -0.266502D+01 -0.315772D+01
      3  -0.887603D+00 -0.749098D-01  0.101954D+01  0.332885D+00  0.124927D+01
      4   0.108172D+01  0.164855D+01  0.368608D+01  0.676386D+01  0.148005D+01
      5   0.856372D+00 -0.849971D+00  0.621286D+01  0.433034D+01  0.763496D+01
      6   0.357979D+01 -0.547737D+00  0.224231D+01  0.548241D+01  0.215173D+01
               121           122           123           124           125 
      1   0.350427D+01 -0.309181D+01 -0.472069D+01  0.847228D+00 -0.295396D+01
      2  -0.392550D+01 -0.210358D+00 -0.647026D+01 -0.217379D+01 -0.380211D+01
      3   0.421231D+00  0.330217D+01  0.111910D+02  0.132656D+01  0.675607D+01
      4   0.661415D+01  0.136451D+02  0.664546D+01  0.874312D+00  0.466283D+01
      5   0.693016D+01  0.106184D+02  0.101309D+02  0.593023D+01  0.594503D+01
      6   0.582827D+01  0.185013D+02  0.102976D+02  0.241149D+01  0.971622D+01
               126           127           128           129           130 
      1  -0.409349D+01 -0.899640D+01 -0.530271D+01  0.123235D+02 -0.423579D+01
      2  -0.434042D+01  0.300264D+00  0.227641D+01  0.258457D+01  0.233183D+01
      3   0.843391D+01  0.869614D+01  0.302630D+01 -0.149081D+02  0.190396D+01
      4   0.434942D+01  0.589479D+01  0.341046D+01 -0.343421D+01  0.408690D+01
      5   0.653104D+01 -0.134413D+02 -0.372958D+01  0.578857D+01 -0.358941D+01
      6   0.699664D+01 -0.702382D+01 -0.548152D+01  0.683596D+01 -0.370514D+01
               131           132           133           134           135 
      1  -0.451706D+01  0.391772D+01  0.934224D+01  0.355651D+01 -0.114246D+02
      2   0.193496D+01 -0.113552D+01  0.188680D+01 -0.439577D+00 -0.411018D+01
      3   0.258210D+01 -0.278220D+01 -0.112290D+02 -0.311694D+01  0.155348D+02
      4   0.165390D+01  0.489253D+00 -0.244131D+01 -0.881911D-01  0.225116D+01
      5  -0.108386D+00  0.823765D+00  0.720397D+01  0.152299D+01 -0.535562D+01
      6  -0.408449D+01  0.706019D+01  0.468847D+01  0.596783D+01 -0.615857D+01
               136           137           138           139           140 
      1   0.116901D+02 -0.448662D+01  0.242983D+01 -0.459133D+01 -0.216160D+01
      2  -0.759080D+01  0.527887D+00 -0.591130D+01  0.139783D+00  0.560063D+01
      3  -0.409930D+01  0.395873D+01  0.348147D+01  0.445154D+01 -0.343903D+01
      4  -0.157509D+02  0.141410D+02 -0.849529D+01  0.148978D+02 -0.161614D+02
      5   0.198745D+02 -0.120234D+02  0.164413D+02 -0.125644D+02  0.135347D+02
      6  -0.115399D+02  0.111799D+02 -0.855795D+01  0.111416D+02 -0.154936D+02
               141           142           143           144           145 
      1   0.340725D+01  0.139057D+01  0.241761D+01 -0.194950D+01  0.332623D+00
      2   0.809320D+00 -0.441408D+01  0.122342D+01 -0.441176D+01 -0.267895D+01
      3  -0.421657D+01  0.302350D+01 -0.364103D+01  0.636126D+01  0.234633D+01
      4   0.949781D+01 -0.544499D+01  0.614332D+01 -0.749482D+01 -0.148218D+01
      5  -0.112579D+02  0.123246D+02 -0.811579D+01  0.120407D+02 -0.417161D+01
      6   0.133511D+02 -0.652076D+01  0.999198D+01 -0.988395D+01  0.965775D+00
               146           147           148           149           150 
      1  -0.157390D+01 -0.540132D+01 -0.192119D+01  0.546091D+00 -0.128662D+01
      2   0.639207D+00  0.308123D+01  0.588708D+00 -0.129892D+01  0.699295D+00
      3   0.934695D+00  0.232009D+01  0.133248D+01  0.752826D+00  0.587321D+00
      4   0.287019D+01  0.482533D+00  0.530055D+01 -0.867045D-01 -0.456004D+01
      5   0.288984D+00  0.676076D+01  0.708815D+00 -0.429789D+01 -0.135552D+01
      6   0.243304D-01  0.341376D+00 -0.135859D+01  0.141928D+01  0.674745D+01
               151           152           153           154           155 
      1  -0.727793D+01 -0.109196D+01 -0.132224D+02  0.165364D+02  0.977651D+01
      2   0.810228D+01  0.237514D+00 -0.199408D+02 -0.559770D+01 -0.320256D+01
      3  -0.824356D+00  0.854444D+00  0.331633D+02 -0.109387D+02 -0.657395D+01
      4   0.103972D+01 -0.521761D+01 -0.233819D+01  0.107553D+02  0.154134D+02
      5   0.150581D+02 -0.175204D+01 -0.454652D+02  0.152633D+01  0.231653D+00
      6  -0.178564D+01  0.647112D+01  0.808524D+01 -0.127005D+01 -0.220966D+01
               156           157           158           159           160 
      1   0.302392D+01  0.170889D+02  0.113913D+02  0.226226D+00  0.820289D+01
      2  -0.986224D+00 -0.708377D+01  0.274595D+01  0.132311D+01 -0.344865D+01
      3  -0.203770D+01 -0.100052D+02 -0.141373D+02 -0.154934D+01 -0.475424D+01
      4   0.105987D+01  0.187620D+02  0.301383D+02  0.322900D+01  0.248756D+01
      5   0.308205D+01 -0.169294D+01  0.302438D+01  0.759636D+01  0.392206D+01
      6   0.559279D+00 -0.178816D+01 -0.487401D+01  0.189189D+01  0.103815D+01
               161           162           163           164           165 
      1   0.185456D+01  0.870309D+00  0.436513D+02 -0.185947D+02  0.538026D+01
      2   0.292095D+00 -0.181081D+01 -0.165200D+02  0.511199D+01 -0.156930D+01
      3  -0.214665D+01  0.940499D+00 -0.271313D+02  0.134827D+02 -0.381096D+01
      4   0.649558D+01  0.486605D+01 -0.265320D+02  0.212002D+02 -0.269536D+01
      5   0.536979D+01  0.587290D+00  0.135139D+01 -0.373969D+00  0.690278D+01
      6   0.173427D+01  0.107647D+01  0.181810D+01 -0.226037D+01 -0.145744D+01
               166           167           168           169           170 
      1  -0.238779D+02  0.143219D+02 -0.139653D+01  0.131953D+02 -0.380590D+01
      2   0.593608D+01  0.222765D+01 -0.111704D+01 -0.477935D+01  0.484316D-01
      3   0.179418D+02 -0.165496D+02  0.251357D+01 -0.841596D+01  0.375746D+01
      4   0.269818D+02 -0.238736D+02  0.386593D+01 -0.683794D+01  0.729279D+01
      5   0.642151D+00  0.211193D+01 -0.722741D+01  0.785020D+01 -0.546509D+01
      6  -0.241883D+01  0.162688D+01  0.293468D+01 -0.209797D+01  0.219585D+01
               171 
      1   0.374750D+01
      2  -0.276128D+01
      3  -0.986222D+00
      4  -0.594462D+01
      5   0.185728D+01
      6  -0.756963D+00
 Leave Link  716 at Thu Aug 12 21:57:14 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.862581D+02 -0.256948D+00 -0.246347D+01
      2  -0.256948D+00  0.759205D+02  0.204795D+01
      3  -0.246347D+01  0.204795D+01  0.741484D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.218095D+01  0.132469D+01 -0.871994D+00
      2   0.533677D+01 -0.673158D+01  0.299569D+02
      3   0.662958D+01 -0.261240D+02  0.762289D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.719569D+02 -0.224270D+02  0.239539D+01
      2  -0.392622D+02  0.228474D+02 -0.814359D+01
      3  -0.326946D+02 -0.420466D+00  0.574821D+01
      4  -0.244894D+02  0.466231D+02 -0.185885D+02
      5   0.108768D+02 -0.206615D+02  0.594072D+02
      6  -0.541996D+01  0.267853D+01 -0.780160D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.587623D-01  0.238331D+01 -0.330908D+01  0.376137D+01 -0.451031D+01
      2   0.238331D+01 -0.412458D+01  0.142008D+00 -0.451031D+01 -0.249713D+01
      3  -0.330908D+01  0.142008D+00  0.887159D+00  0.631232D-02 -0.195263D+01
                 6             7             8             9            10 
      1   0.631232D-02 -0.444501D+01  0.481197D+00 -0.552842D-01  0.173938D+01
      2  -0.195263D+01  0.481197D+00 -0.229228D+01  0.344891D+00 -0.276797D+01
      3   0.441141D+00 -0.552842D-01  0.344891D+00  0.694589D+01  0.394670D+01
                11            12            13            14            15 
      1  -0.276797D+01  0.394670D+01 -0.610223D+01  0.445752D+01  0.126639D+00
      2   0.419603D+01  0.205519D+00  0.445752D+01  0.380432D+01  0.288998D+01
      3   0.205519D+00 -0.308895D+00  0.126639D+00  0.288998D+01  0.161357D+00
                16            17            18            19            20 
      1   0.629916D+01 -0.394719D+00 -0.510167D-02 -0.409494D+01  0.436326D+01
      2  -0.394719D+00  0.315938D+01  0.188338D+00  0.436326D+01 -0.196597D+01
      3  -0.510167D-02  0.188338D+00 -0.483887D+01 -0.136528D+01  0.544529D+00
                21            22            23            24            25 
      1  -0.136528D+01  0.682975D+01 -0.172736D+01 -0.597621D-01 -0.331707D+01
      2   0.544529D+00 -0.172736D+01 -0.274123D+00 -0.518069D+00  0.630645D+00
      3  -0.392659D+00 -0.597621D-01 -0.518069D+00  0.182931D+01 -0.809611D+00
                26            27            28            29            30 
      1   0.630645D+00 -0.809611D+00  0.163630D+01 -0.263309D+01 -0.770795D+00
      2  -0.207407D+01  0.207253D+01 -0.263309D+01  0.552535D+00  0.152221D+01
      3   0.207253D+01  0.628488D+01 -0.770795D+00  0.152221D+01  0.696267D+00
                31            32            33            34            35 
      1  -0.300973D+01 -0.127820D+00  0.152594D+01 -0.365229D+01  0.142930D+01
      2  -0.127820D+00 -0.560695D+00  0.299452D+00  0.142930D+01 -0.412306D+00
      3   0.152594D+01  0.299452D+00 -0.128724D+01  0.152210D+01 -0.117473D+01
                36            37            38            39            40 
      1   0.152210D+01  0.427220D+01  0.139641D+01 -0.161313D+01 -0.764177D-01
      2  -0.117473D+01  0.139641D+01  0.153776D+01 -0.690649D+00 -0.211842D-01
      3  -0.309665D+01 -0.161313D+01 -0.690649D+00  0.295691D+00 -0.827165D+00
                41            42            43            44            45 
      1  -0.211842D-01 -0.827165D+00 -0.336498D+01 -0.163423D+01 -0.936511D+00
      2  -0.320238D+01 -0.157319D+01 -0.163423D+01 -0.206116D+01 -0.145114D+01
      3  -0.157319D+01 -0.743441D+00 -0.936511D+00 -0.145114D+01 -0.266020D+01
                46            47            48            49            50 
      1   0.122545D+01  0.312499D+01 -0.432972D+01  0.317890D+01 -0.336304D+01
      2   0.312499D+01 -0.319314D+01  0.152560D+00 -0.336304D+01 -0.240513D+01
      3  -0.432972D+01  0.152560D+00  0.507018D+00  0.145361D+00 -0.328049D+01
                51            52            53            54            55 
      1   0.145361D+00 -0.366990D+01 -0.224533D-01  0.414347D+00 -0.361589D+01
      2  -0.328049D+01 -0.224533D-01 -0.279123D+01 -0.831444D-01 -0.714193D+00
      3   0.404169D+00  0.414347D+00 -0.831444D-01  0.329495D+01  0.120825D+00
                56            57            58            59            60 
      1  -0.714193D+00  0.120825D+00 -0.187330D+01 -0.509102D+00  0.803865D-01
      2  -0.488738D+00 -0.158655D+00 -0.509102D+00  0.476408D+01 -0.130565D+01
      3  -0.158655D+00  0.134539D+01  0.803865D-01 -0.130565D+01 -0.133339D+01
                61            62            63            64            65 
      1  -0.101119D+00 -0.609014D+00  0.893850D+00 -0.646909D+01  0.224769D+01
      2  -0.609014D+00 -0.761236D+00 -0.522918D+00  0.224769D+01 -0.194686D+01
      3   0.893850D+00 -0.522918D+00 -0.339210D+01  0.287423D+01 -0.131590D+01
                66            67            68            69            70 
      1   0.287423D+01  0.368342D+01 -0.204273D+01 -0.100419D+01  0.569584D+01
      2  -0.131590D+01 -0.204273D+01  0.391181D+01  0.189300D+01 -0.866806D+00
      3  -0.205176D+01 -0.100419D+01  0.189300D+01  0.174300D+01 -0.283168D+01
                71            72            73            74            75 
      1  -0.866806D+00 -0.283168D+01  0.543427D+00 -0.813036D+00 -0.115051D+01
      2   0.248154D+01  0.216233D+01 -0.813036D+00  0.427088D+00  0.632320D-02
      3   0.216233D+01  0.618598D+01 -0.115051D+01  0.632320D-02  0.148592D+00
                76            77            78            79            80 
      1  -0.125821D+01  0.203000D+00  0.429589D-01 -0.128573D+01 -0.894723D-01
      2   0.203000D+00 -0.172567D+00 -0.130061D+01 -0.894723D-01 -0.155372D+01
      3   0.429589D-01 -0.130061D+01 -0.687968D+00  0.102965D+00 -0.742185D+00
                81            82            83            84            85 
      1   0.102965D+00 -0.144837D+01 -0.108473D+01 -0.105287D+01 -0.106412D+01
      2  -0.742185D+00 -0.108473D+01 -0.147771D+01 -0.158432D+00 -0.133962D+01
      3  -0.883690D+01 -0.105287D+01 -0.158432D+00 -0.414509D+00 -0.962224D-01
                86            87            88            89            90 
      1  -0.133962D+01 -0.962224D-01 -0.133042D+01 -0.167140D+00 -0.235011D+00
      2  -0.781867D+01 -0.162030D+01 -0.167140D+00 -0.172221D+01 -0.162617D+01
      3  -0.162030D+01 -0.160212D+01 -0.235011D+00 -0.162617D+01 -0.615453D+00
                91            92            93            94            95 
      1  -0.678915D+01 -0.320598D+01  0.220430D+00 -0.196371D+01 -0.163313D+01
      2  -0.320598D+01 -0.258132D+01  0.180905D-01 -0.163313D+01 -0.201196D+01
      3   0.220430D+00  0.180905D-01 -0.102639D+01  0.144627D+00  0.920861D-02
                96            97            98            99           100 
      1   0.144627D+00  0.233810D+01  0.126959D+01 -0.907384D+00 -0.103445D+01
      2   0.920861D-02  0.126959D+01  0.995366D+00 -0.537948D+00  0.255207D+00
      3  -0.548048D+00 -0.907384D+00 -0.537948D+00  0.309987D+00  0.542027D+00
               101           102           103           104           105 
      1   0.255207D+00  0.542027D+00  0.485978D+00 -0.350016D+00 -0.142183D+00
      2  -0.121612D+01 -0.242693D+00 -0.350016D+00  0.141086D+01  0.924224D+00
      3  -0.242693D+00 -0.161691D+01 -0.142183D+00  0.924224D+00  0.167798D+01
               106           107           108           109           110 
      1   0.143986D+01 -0.141708D+00 -0.991049D+00  0.557333D+01  0.219714D+01
      2  -0.141708D+00  0.215912D+01  0.183083D+01  0.219714D+01  0.261750D+01
      3  -0.991049D+00  0.183083D+01  0.376672D+01 -0.428102D+00  0.734902D-01
               111           112           113           114           115 
      1  -0.428102D+00  0.214003D+01  0.123901D+01  0.277129D+00 -0.708679D+00
      2   0.734902D-01  0.123901D+01  0.178125D+01 -0.930520D-01  0.315048D+00
      3   0.668743D+00  0.277129D+00 -0.930520D-01  0.671397D+00  0.327446D+00
               116           117           118           119           120 
      1   0.315048D+00  0.327446D+00  0.951224D+00  0.780549D+00  0.115202D+01
      2  -0.337390D+00  0.584412D+00  0.780549D+00  0.133580D+01  0.581504D+00
      3   0.584412D+00 -0.298762D+00  0.115202D+01  0.581504D+00  0.805749D+00
               121           122           123           124           125 
      1   0.131101D+01  0.126777D+01  0.855824D+00  0.865355D+00  0.475124D+00
      2   0.126777D+01  0.512156D+01  0.194702D+01  0.475124D+00  0.156913D+01
      3   0.855824D+00  0.194702D+01  0.290348D+01  0.483950D+00  0.158796D+01
               126           127           128           129           130 
      1   0.483950D+00 -0.530052D+01 -0.119094D+01  0.226718D+01 -0.114884D+01
      2   0.158796D+01 -0.119094D+01 -0.100212D+01  0.862950D+00 -0.647832D+00
      3   0.172793D+01  0.226718D+01  0.862950D+00 -0.314835D+01  0.547877D+00
               131           132           133           134           135 
      1  -0.647832D+00  0.547877D+00  0.172580D+01  0.554067D+00 -0.206225D+01
      2  -0.725744D+00  0.121331D+01  0.554067D+00  0.914216D+00 -0.739208D+00
      3   0.121331D+01 -0.985348D+00 -0.206225D+01 -0.739208D+00  0.267237D+01
               136           137           138           139           140 
      1   0.401910D+01 -0.256348D+01  0.252799D+01 -0.273581D+01  0.256183D+01
      2  -0.256348D+01  0.246988D+01 -0.135091D+01  0.256183D+01 -0.339543D+01
      3   0.252799D+01 -0.135091D+01  0.229140D+01 -0.138804D+01  0.230861D+01
               141           142           143           144           145 
      1  -0.138804D+01  0.150608D+01 -0.912719D+00  0.159506D+01  0.785417D-01
      2   0.230861D+01 -0.912719D+00  0.149750D+01 -0.157436D+01 -0.232408D+00
      3  -0.235204D+01  0.159506D+01 -0.157436D+01  0.203414D+01 -0.868417D+00
               146           147           148           149           150 
      1  -0.232408D+00 -0.868417D+00 -0.499912D+00  0.721833D+00  0.610622D-01
      2   0.230557D+00  0.105332D-01  0.721833D+00  0.631258D-03 -0.101510D+01
      3   0.105332D-01  0.400943D-01  0.610622D-01 -0.101510D+01 -0.374744D+00
               151           152           153           154           155 
      1  -0.183428D+01  0.116412D+00  0.184659D+01  0.235307D+01  0.159895D+01
      2   0.116412D+00 -0.105949D+01 -0.317543D+00  0.159895D+01  0.203963D+01
      3   0.184659D+01 -0.317543D+00 -0.958827D+01  0.476759D+00  0.874336D-01
               156           157           158           159           160 
      1   0.476759D+00  0.290723D+01  0.244830D+01 -0.132529D+00  0.141486D+01
      2   0.874336D-01  0.244830D+01  0.545409D+01  0.564858D+00  0.331039D+00
      3   0.410342D+00 -0.132529D+00  0.564858D+00  0.123193D+01  0.564172D+00
               161           162           163           164           165 
      1   0.331039D+00  0.564172D+00  0.630163D+01 -0.314168D+01  0.759745D+00
      2   0.121191D+01  0.873915D+00 -0.314168D+01  0.258978D+01 -0.289912D+00
      3   0.873915D+00 -0.165482D-01  0.759745D+00 -0.289912D+00  0.863039D+00
               166           167           168           169           170 
      1  -0.456540D+01  0.337288D+01 -0.164022D+00  0.242443D+01 -0.764157D+00
      2   0.337288D+01 -0.318476D+01  0.609431D+00 -0.764157D+00  0.107693D+01
      3  -0.164022D+00  0.609431D+00 -0.114944D+01  0.108340D+01 -0.875844D+00
               171 
      1   0.108340D+01
      2  -0.875844D+00
      3   0.120892D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.340771D+01  0.355260D+01  0.398313D+00  0.458786D+01  0.129672D+01
      2  -0.876895D+01  0.229668D+01  0.997677D+00  0.342617D+01 -0.920338D+01
      3  -0.680650D+01  0.883732D+01  0.116999D+01  0.165641D+02  0.994067D+01
                 6             7             8             9            10 
      1  -0.665544D+00  0.646538D+00  0.351156D+01  0.137905D+01  0.349037D+01
      2   0.963049D+00 -0.861130D+01  0.114837D+01  0.207708D+02  0.718296D+01
      3   0.407912D+01 -0.773699D+00  0.637884D+01 -0.105838D+01  0.799743D+00
                11            12            13            14            15 
      1  -0.779801D+00  0.208616D+00 -0.772960D+00  0.405139D+01 -0.516126D+01
      2  -0.145317D+01  0.448223D+01 -0.418248D+01  0.437793D+01 -0.222751D+00
      3  -0.455317D+01 -0.173956D+01  0.181367D+01 -0.111867D+02 -0.314133D+01
                16            17            18            19            20 
      1  -0.715789D+00  0.205782D+01 -0.255620D+01 -0.274829D+01 -0.207851D+00
      2  -0.266053D+01  0.898942D+00 -0.483391D+01 -0.183939D+01  0.212214D+01
      3  -0.100131D+01 -0.283351D+01 -0.742458D+00  0.735998D+01 -0.605289D+01
                21            22            23            24            25 
      1  -0.126939D+01  0.202523D+01  0.970464D-01  0.206595D+01 -0.269478D+01
      2   0.237038D+01  0.591681D+01 -0.183829D+01  0.215358D+01 -0.747774D+01
      3   0.761526D+00  0.168902D+01  0.653339D+00 -0.731560D+00 -0.215014D+01
                26            27            28            29            30 
      1   0.477132D+01 -0.217153D+01  0.149384D+01  0.325425D+01  0.171375D+01
      2   0.121241D+01 -0.188616D+01 -0.615845D+01 -0.962015D+00 -0.511933D+01
      3   0.132155D+01  0.209653D+00 -0.100756D+02  0.269597D+01 -0.205610D+01
                31            32            33            34            35 
      1   0.149359D+00 -0.788338D+01 -0.491386D+00  0.117319D+01  0.200499D+01
      2   0.330414D+01  0.201872D+01  0.266542D+00 -0.980396D+01  0.221145D+00
      3   0.419579D+01  0.338708D+01 -0.232937D+01 -0.593605D+01 -0.675497D+01
                36            37            38            39            40 
      1   0.665412D+01 -0.291452D+01 -0.748686D+00 -0.544541D+00  0.345960D-01
      2   0.893642D+01  0.577556D+01  0.278521D+01  0.110656D+01 -0.280719D+01
      3  -0.216786D+01 -0.122949D+01 -0.139873D+01  0.711440D+00  0.504508D+01
                41            42            43            44            45 
      1   0.235157D+01 -0.444130D+01  0.252959D+01  0.351317D+01 -0.295587D+01
      2   0.229012D+01  0.206530D+01 -0.502154D+01  0.141365D+01  0.560154D+01
      3  -0.758427D+01 -0.219323D+01  0.254155D+01 -0.196101D+01 -0.270124D+01
                46            47            48            49            50 
      1   0.276237D+01 -0.571084D+01  0.381707D+00 -0.619907D+01 -0.728402D+01
      2  -0.965755D+01 -0.616143D+01  0.132389D+02 -0.453530D+01  0.156906D+01
      3  -0.500990D+01  0.115773D-01  0.228466D+01  0.460264D+01  0.554560D+01
                51            52            53            54            55 
      1  -0.100410D+02 -0.330613D-01 -0.364995D+01  0.287497D+01  0.106545D+01
      2  -0.305062D-01  0.578047D+01  0.243496D+00  0.232005D+01 -0.203720D+01
      3   0.415042D+01  0.212607D+01  0.345657D+01  0.243331D-01 -0.128736D+02
                56            57            58            59            60 
      1   0.241454D+01 -0.307308D+01  0.437510D+00 -0.269950D+01 -0.327192D+01
      2   0.162581D+00  0.267445D+01 -0.691082D+00 -0.184391D+00 -0.118502D+01
      3  -0.715655D+01 -0.314247D+00  0.460315D+01 -0.707681D+00  0.585040D+00
                61            62            63            64            65 
      1  -0.246294D+01  0.713526D+01  0.918700D+01 -0.640666D+00 -0.294484D+01
      2  -0.222043D+01 -0.227521D+00  0.926186D+00 -0.150774D+01  0.217020D+01
      3  -0.211894D+01 -0.174179D+01  0.380260D+01  0.247460D+01 -0.843631D+01
                66            67            68            69            70 
      1   0.131151D+01  0.673554D+00  0.272850D+01 -0.327883D+01 -0.453526D+00
      2   0.946243D+01  0.905947D+00 -0.498853D+01 -0.339449D+01  0.111387D+01
      3  -0.620617D+00  0.681972D+00  0.627292D+01  0.388966D+01  0.400336D+01
                71            72            73            74            75 
      1   0.504118D+01 -0.239692D+01  0.634779D+00 -0.384268D+00  0.321933D+00
      2  -0.337505D+01 -0.137740D+02  0.773676D+00 -0.745640D+00 -0.370053D+00
      3   0.742055D+01  0.352726D+01 -0.130058D+00 -0.800924D-01 -0.490830D+00
                76            77            78            79            80 
      1  -0.475661D+00  0.732804D+00  0.165217D+00  0.397119D+00  0.351182D+01
      2  -0.112628D+01  0.140263D+00 -0.235144D+00 -0.405519D+01  0.183876D-01
      3   0.155942D+01 -0.154212D+00 -0.313997D+00  0.502074D+00 -0.267379D+00
                81            82            83            84            85 
      1   0.185765D+01 -0.126572D+01 -0.569678D-01 -0.607150D+00 -0.209233D+00
      2   0.649797D+00 -0.172496D+01 -0.301643D+00  0.661341D-01 -0.488166D+00
      3  -0.140566D+00  0.396818D+01  0.177329D+01  0.122528D+01  0.550974D+01
                86            87            88            89            90 
      1   0.674272D-01 -0.376882D+01 -0.116793D+00  0.135477D+00 -0.444007D+00
      2  -0.165826D+01 -0.133879D+01 -0.204486D+01 -0.174951D+01 -0.544343D+00
      3   0.915568D+01  0.201299D+01  0.201414D+01  0.199487D+01  0.197729D+01
                91            92            93            94            95 
      1   0.317046D+01  0.197964D+01 -0.165496D+01  0.174631D+01  0.160053D+01
      2  -0.522110D+01 -0.286788D+01  0.330545D+01 -0.218978D+01 -0.150794D+01
      3   0.208182D+01 -0.286525D+01 -0.499241D+00  0.302213D+00 -0.166229D+01
                96            97            98            99           100 
      1  -0.838434D+00 -0.173922D+01 -0.706663D+00  0.110274D+01 -0.172347D+01
      2   0.142526D+01  0.270212D+01  0.159161D+01 -0.215991D+01  0.491455D+00
      3   0.137706D+00 -0.234541D+00  0.133609D+01 -0.327843D+00 -0.230368D+01
               101           102           103           104           105 
      1  -0.123712D-01  0.416677D+01  0.703012D-02 -0.197066D+01 -0.452537D+01
      2   0.413005D+00  0.921774D-01  0.306359D+00  0.367859D-01  0.350636D-01
      3  -0.576610D+00  0.149193D+01  0.715298D+00 -0.894202D+00 -0.165020D+00
               106           107           108           109           110 
      1   0.276555D+01 -0.302955D+01 -0.113072D+02 -0.468398D+00 -0.149645D+01
      2  -0.191279D+01  0.173019D+00 -0.100937D+01  0.229648D+01  0.520847D+00
      3   0.449360D+01 -0.342733D+00 -0.317022D+01  0.160632D+02  0.176555D+01
               111           112           113           114           115 
      1  -0.233740D+01 -0.130273D+01 -0.551015D+00 -0.134175D+01 -0.657034D+00
      2   0.163015D+01  0.553804D+00  0.445132D+00  0.888351D+00 -0.840492D+00
      3  -0.581524D+00  0.438611D+01  0.219635D+01  0.731857D+00 -0.139938D+01
               116           117           118           119           120 
      1   0.147305D+00 -0.550990D+00  0.223637D+01  0.287411D+01  0.132535D+01
      2   0.454346D+00  0.150234D+00  0.205876D+00 -0.664474D+00  0.278911D+00
      3   0.651182D+00  0.286740D+00 -0.920848D+00 -0.286216D+01 -0.123907D+01
               121           122           123           124           125 
      1   0.247164D+01  0.134888D+02  0.274894D+01  0.162798D+01  0.493389D+01
      2  -0.228539D+01  0.273060D+00  0.303205D+01 -0.219993D+01  0.985025D+00
      3   0.115101D+00 -0.827733D+01 -0.234238D+01 -0.747553D+00 -0.175881D+01
               126           127           128           129           130 
      1   0.366810D+01 -0.305403D+00 -0.231303D+01 -0.122213D+01 -0.105806D+01
      2   0.132447D+01  0.161755D+02  0.302611D+01 -0.570870D+01  0.267470D+01
      3  -0.249186D+01  0.579430D+01  0.172420D+00 -0.183811D+01  0.248152D+01
               131           132           133           134           135 
      1  -0.773162D-01  0.467915D+00 -0.547117D+00  0.239029D+01  0.485903D+00
      2   0.250977D+01 -0.182766D+01 -0.752685D+01 -0.202943D+01  0.601194D+01
      3   0.881654D+00 -0.162462D+01 -0.162773D+01 -0.578451D+00  0.223306D+01
               136           137           138           139           140 
      1  -0.274178D+01  0.442914D+01  0.256324D+00  0.368763D+01 -0.477558D+01
      2  -0.422595D+01  0.275445D+01  0.677478D+00  0.387070D+01 -0.144420D+01
      3  -0.194168D+00 -0.294853D+01  0.129195D+00  0.158724D+00  0.334055D+01
               141           142           143           144           145 
      1   0.647708D+00 -0.704656D+00  0.275985D+01 -0.831410D+00 -0.216195D+00
      2  -0.149259D+01 -0.263109D+01 -0.333434D-01  0.405896D+00 -0.274617D+01
      3  -0.213690D+01 -0.498262D+00 -0.185540D+01  0.932166D+00  0.835039D+00
               146           147           148           149           150 
      1  -0.133155D+00 -0.362120D-01 -0.519208D+00 -0.417064D+00 -0.114318D+00
      2  -0.121709D+00  0.396085D+00 -0.323777D+00 -0.157521D+01 -0.868806D+00
      3  -0.125969D+01  0.317061D+00 -0.870145D+00 -0.618655D+00  0.233115D+01
               151           152           153           154           155 
      1   0.410646D+00  0.360498D+01 -0.285398D+01 -0.114814D+01 -0.176421D+01
      2  -0.395607D+00 -0.696282D+00 -0.239064D+02  0.294258D+01  0.169199D+01
      3   0.483444D+00  0.297946D+01  0.404644D+00 -0.477711D+01 -0.689076D+01
               156           157           158           159           160 
      1  -0.830662D+00 -0.184106D+01 -0.413784D+01 -0.247266D+01 -0.341240D+00
      2   0.243664D+01  0.150473D+01  0.422732D+01  0.434188D+01  0.122130D+01
      3  -0.463036D+00 -0.462031D+01 -0.185879D+02 -0.218492D+01 -0.564943D+00
               161           162           163           164           165 
      1   0.244118D+00 -0.102580D+01  0.272665D+01 -0.195180D+01  0.149126D+01
      2   0.263134D+01  0.656719D+00  0.681371D+01 -0.364568D+01  0.506918D+01
      3  -0.408796D+01 -0.245921D+01  0.507075D+01 -0.813761D+01  0.723281D+00
               166           167           168           169           170 
      1  -0.221309D+01  0.236203D+01 -0.276978D+01  0.788894D+00 -0.414637D+00
      2  -0.383391D+01  0.451203D+01 -0.457530D+01  0.345360D+01 -0.274981D+01
      3  -0.580212D+01  0.816861D+01 -0.198727D+01  0.888320D+00 -0.335710D+01
               171 
      1   0.912287D+00
      2   0.159271D+01
      3   0.186188D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.116721D+01  0.123918D+02 -0.170774D+02  0.142504D+02 -0.267446D+02
      2  -0.569192D+01 -0.423111D+01  0.789128D+01 -0.491646D+01  0.796148D+01
      3   0.685913D+01 -0.816068D+01  0.918608D+01 -0.933395D+01  0.187831D+02
      4   0.154175D+02 -0.240124D+02  0.288400D+01 -0.308911D+02 -0.996263D+01
      5  -0.178260D+02 -0.651134D+00  0.561466D+01 -0.136161D+01 -0.759333D+01
      6   0.541611D+00  0.303041D+01 -0.746162D+00  0.267073D+01  0.380046D+01
                 6             7             8             9            10 
      1  -0.926816D-01 -0.214156D+02  0.241254D+01  0.131602D+02 -0.884569D+01
      2   0.121128D+01  0.694527D+01  0.160812D+00  0.827912D+01  0.201772D+00
      3  -0.111860D+01  0.144703D+02 -0.257335D+01 -0.214393D+02  0.864391D+01
      4  -0.976530D+01  0.492357D+01 -0.126839D+02  0.224129D+01 -0.552293D+01
      5   0.147361D+01  0.268670D+01  0.147467D+01  0.298666D+02  0.139378D+02
      6   0.148717D+01  0.215714D+00  0.179144D+01 -0.686962D+01 -0.443945D+01
                11            12            13            14            15 
      1  -0.221977D+01  0.127325D+02 -0.283331D+01  0.186298D+02  0.359396D+01
      2  -0.597416D+00 -0.885739D+01  0.187042D+00 -0.225611D+02 -0.545825D+01
      3   0.281718D+01 -0.387511D+01  0.264627D+01  0.393133D+01  0.186429D+01
      4   0.863752D+01 -0.250588D+01  0.158362D+02  0.285654D+01  0.443235D+01
      5   0.349789D+00 -0.238867D+01  0.407516D+00  0.442253D+01 -0.944823D-01
      6  -0.541023D+00  0.196119D+00  0.976673D-01 -0.838221D+01  0.246188D+01
                16            17            18            19            20 
      1   0.161312D+02  0.129130D+01  0.215735D+01 -0.447263D+01 -0.294536D+00
      2  -0.833189D+01 -0.424548D+01 -0.138897D+01  0.782480D+01 -0.318135D+01
      3  -0.779930D+01  0.295418D+01 -0.768376D+00 -0.335217D+01  0.347588D+01
      4  -0.431701D+01  0.533929D+01  0.893660D+00  0.276156D+00 -0.125681D+01
      5  -0.182234D+01  0.121965D+01 -0.115485D+02 -0.421734D+01 -0.866743D+00
      6  -0.392600D+00 -0.206790D+01  0.391257D+01  0.588832D+00  0.370840D+00
                21            22            23            24            25 
      1  -0.216922D+01  0.299214D+01  0.354166D+00  0.123763D+01 -0.691285D+01
      2   0.375097D+01 -0.402934D+01 -0.164991D+01  0.340058D+01  0.397534D+01
      3  -0.158175D+01  0.103720D+01  0.129574D+01 -0.463821D+01  0.293750D+01
      4   0.567802D+00 -0.106411D+02  0.404409D+01 -0.181915D+01  0.252687D+01
      5   0.182560D+01  0.417836D+00  0.693186D+00  0.371019D+01  0.189735D+01
      6  -0.475363D+00 -0.236035D+01  0.383860D+01 -0.587598D+01 -0.996162D+00
                26            27            28            29            30 
      1   0.643980D+01  0.825618D+01 -0.860805D+01  0.874695D+01 -0.489210D+00
      2  -0.360456D+01  0.164281D+02  0.358894D+01 -0.662253D+01 -0.340977D+01
      3  -0.283524D+01 -0.246843D+02  0.501912D+01 -0.212441D+01  0.389898D+01
      4  -0.767210D-01 -0.154776D+01  0.680251D+01 -0.883553D+01 -0.735043D+01
      5  -0.501995D+00 -0.197393D+00  0.736298D+01 -0.706644D+01 -0.114821D+02
      6   0.440528D+01 -0.106363D+01 -0.472907D+01  0.166860D+01 -0.244036D+01
                31            32            33            34            35 
      1   0.113652D+02  0.235371D+01 -0.367257D+01  0.133696D+02 -0.292701D+01
      2  -0.665595D+01 -0.532890D+01  0.808354D+01 -0.772417D+01 -0.280051D+01
      3  -0.470929D+01  0.297518D+01 -0.441097D+01 -0.564542D+01  0.572752D+01
      4  -0.531554D+01 -0.213726D+01  0.373016D+00 -0.101014D+02  0.776110D+01
      5  -0.146604D+02  0.133261D+01 -0.227928D+01 -0.999913D+01  0.182859D+01
      6  -0.210960D+01 -0.591404D+01 -0.186372D+01 -0.106311D+01 -0.174142D+01
                36            37            38            39            40 
      1  -0.658402D+01 -0.139003D+02 -0.650854D+01  0.730268D+01 -0.513918D+01
      2   0.536959D+01  0.214668D+01  0.278889D+01 -0.450980D+01  0.232110D+01
      3   0.121444D+01  0.117536D+02  0.371965D+01 -0.279288D+01  0.281808D+01
      4   0.402798D+01 -0.121768D+02 -0.225898D+01  0.577544D+01  0.629705D+01
      5   0.149271D+02  0.729939D+01  0.333533D+01  0.743395D+01  0.719251D+01
      6  -0.517997D+01  0.492622D+01  0.203273D+01  0.141186D+01  0.517410D+01
                41            42            43            44            45 
      1  -0.140915D+02 -0.118210D+01  0.119244D+02  0.125343D+01 -0.428402D+01
      2   0.200000D+02  0.238133D+00 -0.493909D+01  0.213195D+01 -0.399335D+01
      3  -0.590849D+01  0.943968D+00 -0.698531D+01 -0.338539D+01  0.827737D+01
      4   0.145579D+02  0.693575D+01  0.128457D+02  0.102109D+02  0.495652D+01
      5   0.696459D+01  0.695954D+01  0.115681D+02  0.768254D+01  0.141123D+02
      6   0.822058D+01  0.932091D+01  0.295554D+01  0.978402D+01  0.859037D+01
                46            47            48            49            50 
      1   0.115331D+02  0.658486D+01 -0.104891D+02  0.545899D+01 -0.372080D+01
      2  -0.498871D+00 -0.696041D-01  0.292608D+01  0.236571D+00  0.945544D+01
      3  -0.110342D+02 -0.651525D+01  0.756305D+01 -0.569556D+01 -0.573464D+01
      4   0.587430D+01 -0.140262D+02  0.845906D+01 -0.153574D+02 -0.185552D+01
      5  -0.530177D+01  0.100935D+02 -0.121299D+02  0.860819D+01 -0.186180D+02
      6   0.156270D+02 -0.111860D+02 -0.200415D+00 -0.124882D+02 -0.474984D+01
                51            52            53            54            55 
      1   0.804259D+00 -0.100991D+02 -0.548196D+00 -0.699395D+01  0.182247D+01
      2   0.312307D+01  0.245387D+01  0.261998D+01 -0.561363D+01 -0.351976D+01
      3  -0.392733D+01  0.764522D+01 -0.207178D+01  0.126076D+02  0.169729D+01
      4  -0.114920D+02  0.675671D+01 -0.848029D+01 -0.952776D-01 -0.176737D+02
      5   0.113229D+01 -0.116130D+02 -0.757614D+00  0.100412D+02  0.564733D+01
      6  -0.140083D+02 -0.378274D+00 -0.104146D+02 -0.837007D+00 -0.125628D+01
                56            57            58            59            60 
      1  -0.108021D+01  0.178511D+01 -0.263464D+01 -0.212815D+02  0.317173D+01
      2  -0.281493D+01 -0.181689D+01  0.587085D+00  0.325422D+02 -0.539231D+01
      3   0.389515D+01  0.317775D-01  0.204756D+01 -0.112606D+02  0.222057D+01
      4  -0.119966D+01 -0.210766D+01  0.298914D+01 -0.395656D+01  0.786660D+00
      5  -0.138838D+01  0.399588D+01 -0.213882D+00  0.655788D-01 -0.266034D+01
      6  -0.609566D+00  0.419156D+01  0.972503D+00 -0.689067D+01  0.618464D+01
                61            62            63            64            65 
      1   0.108183D+01  0.522974D+01 -0.981190D+00  0.350657D+02 -0.889573D+01
      2  -0.324043D+01 -0.291965D+01 -0.623592D+01 -0.189172D+02  0.344232D+01
      3   0.215860D+01 -0.231008D+01  0.721711D+01 -0.161485D+02  0.545341D+01
      4  -0.244795D+01 -0.220238D+00  0.328857D+01 -0.139763D+02  0.174283D+02
      5   0.351277D+01 -0.913212D-01  0.146897D+01 -0.169544D+02  0.736752D+01
      6   0.301024D+01  0.139517D+01 -0.160246D+02  0.224407D+01 -0.297831D+01
                66            67            68            69            70 
      1  -0.871134D+01 -0.116606D+02  0.153869D+01  0.868362D+00 -0.143528D+02
      2   0.938384D+01  0.455085D+01  0.483531D+01 -0.207190D+01  0.974902D+01
      3  -0.672498D+00  0.710978D+01 -0.637400D+01  0.120353D+01  0.460379D+01
      4   0.733275D+01  0.160738D+02 -0.164693D+02 -0.922005D+01  0.550598D+01
      5   0.194410D+02  0.683226D+01 -0.957432D+01 -0.677221D+01  0.212189D+02
      6  -0.165820D+01 -0.418818D+01  0.317436D+01  0.754276D+01 -0.317911D+01
                71            72            73            74            75 
      1   0.782733D-01  0.183707D+01  0.105545D+01  0.113923D+00 -0.332696D-01
      2  -0.130728D+00 -0.145639D+02 -0.516122D+01  0.463670D+00 -0.488616D-01
      3   0.524544D-01  0.127269D+02  0.410577D+01 -0.577593D+00  0.821312D-01
      4  -0.130466D+02 -0.106266D+02 -0.279596D+00  0.149814D+01 -0.352481D+00
      5  -0.914911D+01 -0.289189D+02 -0.648424D-01  0.378224D+00  0.617751D+01
      6   0.740055D+01  0.392017D+01 -0.155376D+00  0.277882D+00 -0.269169D+00
                76            77            78            79            80 
      1   0.743680D+00 -0.357883D+01 -0.804722D+00  0.102748D+01  0.102032D+00
      2   0.134654D+00 -0.844586D+00 -0.281837D+01  0.324104D-01 -0.399111D+01
      3  -0.878334D+00  0.442342D+01  0.362309D+01 -0.105989D+01  0.388908D+01
      4   0.237545D+01 -0.301272D+00  0.325606D+00  0.762802D-01  0.864770D-01
      5   0.398877D+00 -0.110098D+00 -0.262394D+00  0.524788D+01  0.125559D+00
      6   0.590828D+00  0.267657D+00  0.694073D+01  0.644594D+00  0.475567D+01
                81            82            83            84            85 
      1  -0.193907D+02 -0.119226D+01 -0.400072D+01 -0.264391D+01 -0.521848D+01
      2  -0.190187D+02  0.464225D+01  0.516222D+01  0.233046D+01  0.568718D+01
      3   0.384093D+02 -0.344999D+01 -0.116150D+01  0.313449D+00 -0.468703D+00
      4   0.106296D+01  0.100770D+01  0.394202D+01  0.108708D+01  0.261704D+01
      5   0.725559D+00 -0.150062D+01  0.854405D+00  0.111360D+01  0.120105D+01
      6  -0.175582D+01  0.204252D+01  0.170902D+01  0.920702D+00  0.127860D+01
                86            87            88            89            90 
      1  -0.197158D+02 -0.277672D+01 -0.390286D+01 -0.396624D+01 -0.504940D+01
      2   0.313116D+02  0.556060D+01  0.260603D+01  0.448839D+01  0.354815D+01
      3  -0.115959D+02 -0.278388D+01  0.129683D+01 -0.522147D+00  0.150125D+01
      4  -0.942597D+01 -0.205339D+01  0.630194D+00 -0.212258D+01 -0.170916D+01
      5  -0.215960D+01 -0.311282D+01  0.208523D+01 -0.224833D+01 -0.167593D+00
      6   0.827024D+01  0.671730D+01  0.152329D+01  0.865283D+01  0.432072D+01
                91            92            93            94            95 
      1   0.330182D+02  0.125922D+02 -0.206842D+01  0.551531D+01  0.440361D+01
      2  -0.113339D+02 -0.193775D+01 -0.426022D-01  0.856903D+00  0.219550D+01
      3  -0.216843D+02 -0.106544D+02  0.211102D+01 -0.637221D+01 -0.659911D+01
      4   0.246830D+02  0.162578D+02 -0.725262D+00  0.116507D+02  0.109352D+02
      5   0.271406D+01  0.151745D+01  0.459941D+01  0.674484D+00  0.754688D+00
      6  -0.891464D+00  0.218322D+00  0.210283D+01  0.331512D+00  0.269497D+00
                96            97            98            99           100 
      1  -0.391180D+00 -0.102000D+02 -0.453541D+01  0.308924D+01 -0.222409D+00
      2  -0.377692D+00  0.304783D+01  0.395690D+00 -0.124525D+01  0.573865D+00
      3   0.768872D+00  0.715218D+01  0.413972D+01 -0.184399D+01 -0.351456D+00
      4  -0.441267D+00 -0.893644D+01 -0.614829D+01  0.386799D+01 -0.152995D+01
      5   0.186774D+01  0.468535D+01  0.246481D+01 -0.172325D+01 -0.832734D+00
      6   0.166264D+01  0.303305D+01  0.214532D+01 -0.137078D+01  0.259342D+01
               101           102           103           104           105 
      1   0.291504D+01 -0.633560D-01  0.122808D+01 -0.395878D+01 -0.269605D+01
      2  -0.440172D+01 -0.993482D+00 -0.161535D+01  0.604007D+01  0.372441D+01
      3   0.148667D+01  0.105684D+01  0.387268D+00 -0.208129D+01 -0.102836D+01
      4   0.255633D+01  0.188581D+01  0.261605D+01 -0.153358D+01 -0.772049D+00
      5   0.429733D+00  0.801509D+00  0.419441D+00 -0.607918D+00  0.103522D+00
      6   0.139479D+00 -0.587842D+01 -0.697870D+00  0.379754D+01  0.844992D+01
               106           107           108           109           110 
      1   0.866933D+00 -0.665080D+01 -0.778742D+01  0.543265D+01 -0.283853D+01
      2  -0.344212D+00  0.856091D+01  0.551341D+01  0.402368D+01  0.948269D+01
      3  -0.522721D+00 -0.191011D+01  0.227400D+01 -0.945633D+01 -0.664416D+01
      4   0.404774D+01 -0.989501D+00 -0.369770D+01  0.202702D+02  0.133910D+02
      5   0.132462D+01 -0.665687D+00 -0.395083D+00 -0.407940D+01 -0.102928D+01
      6  -0.470736D+01  0.101572D+02  0.155944D+02 -0.228446D+01 -0.867463D+00
               111           112           113           114           115 
      1  -0.102435D+01  0.136741D+00 -0.129076D+01  0.427418D+00 -0.157617D+01
      2   0.997232D+00  0.432597D+01  0.627041D+01 -0.601400D+00  0.223909D+01
      3   0.271150D-01 -0.446272D+01 -0.497965D+01  0.173981D+00 -0.662914D+00
      4  -0.129987D+01  0.113645D+02  0.767584D+01  0.107891D+01 -0.118755D+01
      5   0.253553D+01 -0.350629D+00 -0.453082D+00  0.122439D+01  0.317650D+01
      6   0.297206D+01  0.565689D+00 -0.749578D+00  0.284554D+01  0.134351D+01
               116           117           118           119           120 
      1   0.478372D+00 -0.789412D+00  0.227769D+01  0.233214D+01  0.190845D+01
      2   0.409231D+00  0.864322D+00 -0.329723D+01 -0.266502D+01 -0.315772D+01
      3  -0.887603D+00 -0.749098D-01  0.101954D+01  0.332885D+00  0.124927D+01
      4   0.108172D+01  0.164855D+01  0.368608D+01  0.676386D+01  0.148005D+01
      5   0.856372D+00 -0.849971D+00  0.621286D+01  0.433034D+01  0.763496D+01
      6   0.357979D+01 -0.547737D+00  0.224231D+01  0.548241D+01  0.215173D+01
               121           122           123           124           125 
      1   0.350427D+01 -0.309181D+01 -0.472069D+01  0.847228D+00 -0.295396D+01
      2  -0.392550D+01 -0.210358D+00 -0.647026D+01 -0.217379D+01 -0.380211D+01
      3   0.421231D+00  0.330217D+01  0.111910D+02  0.132656D+01  0.675607D+01
      4   0.661415D+01  0.136451D+02  0.664546D+01  0.874312D+00  0.466283D+01
      5   0.693016D+01  0.106184D+02  0.101309D+02  0.593023D+01  0.594503D+01
      6   0.582827D+01  0.185013D+02  0.102976D+02  0.241149D+01  0.971622D+01
               126           127           128           129           130 
      1  -0.409349D+01 -0.899640D+01 -0.530271D+01  0.123235D+02 -0.423579D+01
      2  -0.434042D+01  0.300264D+00  0.227641D+01  0.258457D+01  0.233183D+01
      3   0.843391D+01  0.869614D+01  0.302630D+01 -0.149081D+02  0.190396D+01
      4   0.434942D+01  0.589479D+01  0.341046D+01 -0.343421D+01  0.408690D+01
      5   0.653104D+01 -0.134413D+02 -0.372958D+01  0.578857D+01 -0.358941D+01
      6   0.699664D+01 -0.702382D+01 -0.548152D+01  0.683596D+01 -0.370514D+01
               131           132           133           134           135 
      1  -0.451706D+01  0.391772D+01  0.934224D+01  0.355651D+01 -0.114246D+02
      2   0.193496D+01 -0.113552D+01  0.188680D+01 -0.439577D+00 -0.411018D+01
      3   0.258210D+01 -0.278220D+01 -0.112290D+02 -0.311694D+01  0.155348D+02
      4   0.165390D+01  0.489253D+00 -0.244131D+01 -0.881911D-01  0.225116D+01
      5  -0.108386D+00  0.823765D+00  0.720397D+01  0.152299D+01 -0.535562D+01
      6  -0.408449D+01  0.706019D+01  0.468847D+01  0.596783D+01 -0.615857D+01
               136           137           138           139           140 
      1   0.116901D+02 -0.448662D+01  0.242983D+01 -0.459133D+01 -0.216160D+01
      2  -0.759080D+01  0.527887D+00 -0.591130D+01  0.139783D+00  0.560063D+01
      3  -0.409930D+01  0.395873D+01  0.348147D+01  0.445154D+01 -0.343903D+01
      4  -0.157509D+02  0.141410D+02 -0.849529D+01  0.148978D+02 -0.161614D+02
      5   0.198745D+02 -0.120234D+02  0.164413D+02 -0.125644D+02  0.135347D+02
      6  -0.115399D+02  0.111799D+02 -0.855795D+01  0.111416D+02 -0.154936D+02
               141           142           143           144           145 
      1   0.340725D+01  0.139057D+01  0.241761D+01 -0.194950D+01  0.332623D+00
      2   0.809320D+00 -0.441408D+01  0.122342D+01 -0.441176D+01 -0.267895D+01
      3  -0.421657D+01  0.302350D+01 -0.364103D+01  0.636126D+01  0.234633D+01
      4   0.949781D+01 -0.544499D+01  0.614332D+01 -0.749482D+01 -0.148218D+01
      5  -0.112579D+02  0.123246D+02 -0.811579D+01  0.120407D+02 -0.417161D+01
      6   0.133511D+02 -0.652076D+01  0.999198D+01 -0.988395D+01  0.965775D+00
               146           147           148           149           150 
      1  -0.157390D+01 -0.540132D+01 -0.192119D+01  0.546091D+00 -0.128662D+01
      2   0.639207D+00  0.308123D+01  0.588708D+00 -0.129892D+01  0.699295D+00
      3   0.934695D+00  0.232009D+01  0.133248D+01  0.752826D+00  0.587321D+00
      4   0.287019D+01  0.482533D+00  0.530055D+01 -0.867045D-01 -0.456004D+01
      5   0.288984D+00  0.676076D+01  0.708815D+00 -0.429789D+01 -0.135552D+01
      6   0.243304D-01  0.341376D+00 -0.135859D+01  0.141928D+01  0.674745D+01
               151           152           153           154           155 
      1  -0.727793D+01 -0.109196D+01 -0.132224D+02  0.165364D+02  0.977651D+01
      2   0.810228D+01  0.237514D+00 -0.199408D+02 -0.559770D+01 -0.320256D+01
      3  -0.824356D+00  0.854444D+00  0.331633D+02 -0.109387D+02 -0.657395D+01
      4   0.103972D+01 -0.521761D+01 -0.233819D+01  0.107553D+02  0.154134D+02
      5   0.150581D+02 -0.175204D+01 -0.454652D+02  0.152633D+01  0.231653D+00
      6  -0.178564D+01  0.647112D+01  0.808524D+01 -0.127005D+01 -0.220966D+01
               156           157           158           159           160 
      1   0.302392D+01  0.170889D+02  0.113913D+02  0.226226D+00  0.820289D+01
      2  -0.986224D+00 -0.708377D+01  0.274595D+01  0.132311D+01 -0.344865D+01
      3  -0.203770D+01 -0.100052D+02 -0.141373D+02 -0.154934D+01 -0.475424D+01
      4   0.105987D+01  0.187620D+02  0.301383D+02  0.322900D+01  0.248756D+01
      5   0.308205D+01 -0.169294D+01  0.302438D+01  0.759636D+01  0.392206D+01
      6   0.559279D+00 -0.178816D+01 -0.487401D+01  0.189189D+01  0.103815D+01
               161           162           163           164           165 
      1   0.185456D+01  0.870309D+00  0.436513D+02 -0.185947D+02  0.538026D+01
      2   0.292095D+00 -0.181081D+01 -0.165200D+02  0.511199D+01 -0.156930D+01
      3  -0.214665D+01  0.940499D+00 -0.271313D+02  0.134827D+02 -0.381096D+01
      4   0.649558D+01  0.486605D+01 -0.265320D+02  0.212002D+02 -0.269536D+01
      5   0.536979D+01  0.587290D+00  0.135139D+01 -0.373969D+00  0.690278D+01
      6   0.173427D+01  0.107647D+01  0.181810D+01 -0.226037D+01 -0.145744D+01
               166           167           168           169           170 
      1  -0.238779D+02  0.143219D+02 -0.139653D+01  0.131953D+02 -0.380590D+01
      2   0.593608D+01  0.222765D+01 -0.111704D+01 -0.477935D+01  0.484316D-01
      3   0.179418D+02 -0.165496D+02  0.251357D+01 -0.841596D+01  0.375746D+01
      4   0.269818D+02 -0.238736D+02  0.386593D+01 -0.683794D+01  0.729279D+01
      5   0.642151D+00  0.211193D+01 -0.722741D+01  0.785020D+01 -0.546509D+01
      6  -0.241883D+01  0.162688D+01  0.293468D+01 -0.209797D+01  0.219585D+01
               171 
      1   0.374750D+01
      2  -0.276128D+01
      3  -0.986222D+00
      4  -0.594462D+01
      5   0.185728D+01
      6  -0.756963D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.604592D+00      0.153672D+01      0.512594D+01
   y         -0.648839D+00     -0.164919D+01     -0.550109D+01
   z         -0.552847D-01     -0.140520D+00     -0.468724D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.822684D+02      0.121909D+02      0.135642D+02
   yx         0.708673D+00      0.105015D+00      0.116844D+00
   yy         0.716521D+02      0.106177D+02      0.118138D+02
   zx        -0.279313D+01     -0.413898D+00     -0.460524D+00
   zy         0.252988D+01      0.374890D+00      0.417121D+00
   zz         0.699315D+02      0.103628D+02      0.115301D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.787757D+02      0.116734D+02      0.129884D+02
   aniso      0.126218D+02      0.187036D+01      0.208106D+01
   xx         0.862581D+02      0.127821D+02      0.142220D+02
   yx        -0.256948D+00     -0.380758D-01     -0.423650D-01
   yy         0.759205D+02      0.112503D+02      0.125176D+02
   zx        -0.246347D+01     -0.365048D+00     -0.406171D+00
   zy         0.204795D+01      0.303475D+00      0.337661D+00
   zz         0.741484D+02      0.109877D+02      0.122254D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.86226565          1.26513217          3.58459217
     6          0.45728691          0.54899311          2.15539016
     6          1.13324831         -0.53641276         -0.50075621
     6         -1.23908976         -1.57726423         -1.71160786
     8         -1.95896519         -3.78688209         -0.65227171
     6         -1.37545119          2.77427411          2.01174806
     7          2.31371840          1.19192717         -2.27462878
     8         -2.43033892         -0.56524136         -3.36385055
     1          2.39832729         -2.13975496         -0.17962232
     1         -0.45521485         -0.99158164          3.18819802
     1         -3.52678812         -4.28334591         -1.46217920
     1          0.98993673          2.25459485         -3.15767131
     1          3.57315121          2.34004742         -1.41283401
     1         -0.54095941          4.35578203          0.98180569
     1         -3.13539721          2.26948058          1.06475661
     1         -1.84202862          3.44108070          3.90631371
     1          4.16971419         -0.32612988          3.70913674
     1          3.84871799          2.83518010          2.67392913
     1          2.40937100          1.86981734          5.50335310

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.888583D+00      0.225855D+01      0.753372D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.740583D+02      0.109743D+02      0.122106D+02
   yx         0.426659D+01      0.632243D+00      0.703465D+00
   yy         0.734714D+02      0.108873D+02      0.121138D+02
   zx         0.613267D+01      0.908769D+00      0.101114D+01
   zy         0.112647D+01      0.166925D+00      0.185729D+00
   zz         0.763224D+02      0.113098D+02      0.125839D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.787757D+02      0.116734D+02      0.129884D+02
   aniso      0.126218D+02      0.187036D+01      0.208106D+01
   xx         0.778336D+02      0.115338D+02      0.128330D+02
   yx         0.369350D+01      0.547320D+00      0.608976D+00
   yy         0.771441D+02      0.114316D+02      0.127193D+02
   zx         0.565681D+01      0.838253D+00      0.932683D+00
   zy         0.154119D+01      0.228380D+00      0.254107D+00
   zz         0.813493D+02      0.120547D+02      0.134127D+02

 ----------------------------------------------------------------------
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 "PERFECTION IS NOT AN ACCIDENT"
         --  EAGLE ELECTRIC MANUFACTURING CO.,INC. NY
 Job cpu time:       0 days  2 hours  2 minutes 41.3 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 23.2 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:57:14 2021.
